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Bonding properties and crystal packing in β-(SeCl4)4 derived from Hirshfeld Atom Refinement

Binary chalcogen halogen EX4 species represent intriguing systems in terms of chemical bonding theories, such as hypervalency and stereoactivity of lone electron pairs. Instead of a simple molecular EX4 structure, selenium tetrachloride forms an ionic pair, Cl3Se+Cl−, that assembles into a tetrameric (SeCl4)4 structure, namely, tetra-μ3-chlorido-dodecachloridotetraselenium. This article describes the charge–density analysis of the tetrameric molecule of β-SeCl4 based on the aspherical model obtained from Hirshfeld Atom Refinement of the tetrameric molecule and of an explicit cluster of 15 tetramers that simulates the crystal packing. Deformation density, electron localization function (ELF) and Quantum Theory of Atoms in Molecules (QTAIM) were used to evaluate the bonding situation, the electron-density distribution around the Se atom and the interaction energy of the tetramer.




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eclat "Bondi" BMX Rim


The eclat "Bondi" BMX Rim comes with the new Design and with a width of 38mm. High quality 6066-T6 aluminum paired with a welded double box section hollow chamber structure and 17mm high sidewalls offer you here a very stable rim which ensures optimized fit and profile for wide tires.

  • Wheel Size: 20"
  • Material: 6066-T6 Aluminium, double wall, double box section
  • Connection: Welded
  • Holes: 36H
  • Width: 38mm
  • Height (Rim Wall): 17mm
  • Rim Wall: Straight (compatible with brakes)
  • Valve Hole Diamater: 8.5mm for schrader valve
  • Spoke Arrangement: Regular Laced
  • Extras: Extra wide, very strong rim with low side walls, offers 2.4" inch wide tires better profile properties, 2019er Design


from 62.98 EUR





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Practical lesson in grounding and bonding of Gas-Insulated Switchgear (GIS)

With the exception of SF6-to-air bushings terminals, all active portions of gas-insulated switchgear (GIS) are contained within grounded enclosures, which means that they are not susceptible to inadvertent contact. This makes gas-insulated switchgear intrinsically safe. In addition, numerous grounding procedures... Read more

The post Practical lesson in grounding and bonding of Gas-Insulated Switchgear (GIS) appeared first on EEP - Electrical Engineering Portal.




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New Wash-Off Adhesive from Acucote Provides Debonding

Acucote, a solutions-oriented pressure-sensitive adhesive coating manufacturer, has introduced WOff, a Wash Off Adhesive, a water-based formula that provides debonding of non-recyclable label materials from PET and glass containers, making them recoverable. 




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Ramat Gan’s animal rescue and bonding farm


Natural Bonds is not only a home for animals, however: It is also a home for people. 




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Bonding over clean-up

Cleaning up after class turns into a moment of sharing between an OM worker and two North African women.




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Michael Jackson's pal Donny Osmond shares reason of their close bonding

Michael Jackson’s pal Donny Osmond shares reason of their close bonding Michael Jackson and Donny Osmond had quite a similar family background. The Puppy Love crooner made an appearance in MTV Entertainment Studios documentary Larger than Life: Reign of the Boybands, where...




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Imagining 'we' in the age of 'I' : romance and social bonding in contemporary culture [Electronic book] / edited by Mary Harrod, Suzanne Leonard, and Diane Negra.

Abingdon, Oxon ; New York, NY : Routledge, 2021.




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Effects of metal–metal bonding in photosensitizers: red-shifted absorption and oscillator strength enhancement

Inorg. Chem. Front., 2024, 11,7812-7821
DOI: 10.1039/D4QI02131B, Research Article
Oshan J. Jinarathne, Malkanthi K. Karunananda
Metal–metal bonds facilitate a red-shift in the maximum absorption wavelength and an enhancement of the oscillator strength in photosensitizers.
The content of this RSS Feed (c) The Royal Society of Chemistry




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Immobilization of cationic dye on photoluminescent hydroxyapatite particles through a citric acid bonding layer

React. Chem. Eng., 2024, 9,2863-2867
DOI: 10.1039/D4RE00277F, Communication
Daichi Noda, Wanyu Shi, Aiga Yamada, Zizhen Liu, Motohiro Tagaya
Promotion of the immobilization of cationic porphyrin on Eu(III) ion-doped hydroxyapatite nanoparticles through citric acid as the bonding layer was achieved.
The content of this RSS Feed (c) The Royal Society of Chemistry




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Dynamic compaction of cohesive granular materials: scaling behavior and bonding structures

Soft Matter, 2024, Advance Article
DOI: 10.1039/D3SM01116J, Paper
Open Access
Max Sonzogni, Jean-Mathieu Vanson, Katerina Ioannidou, Yvan Reynier, Sébastien Martinet, Farhang Radjai
The compaction of cohesive granular materials is a common operation in powder-based manufacture of many products.
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The content of this RSS Feed (c) The Royal Society of Chemistry




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Hydrogen bonding enhanced drug–polymer interaction for efficient drug loading and delivery

Soft Matter, 2024, Advance Article
DOI: 10.1039/D4SM00003J, Communication
Xiaotian Qu, Junran Li, Yishu Yu, Jie Yang
A carrier design strategy of hydrogen bonding enhanced drug–carrier interaction is developed to prepare a polymeric nanomedicine with high drug loading content and superb loading efficiency as well as tunable nanostructures.
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The content of this RSS Feed (c) The Royal Society of Chemistry




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Progress of research on the bonding-strength improvement of two-layer adhesive-free flexible copper-clad laminates

RSC Adv., 2024, 14,12372-12385
DOI: 10.1039/D4RA01408A, Review Article
Open Access
Wanqi Tang, Yuxi Liu, Xianghai Jing, Jinsong Hou, Qianfeng Zhang, Chongguang Jian
Bond strength of two-layer adhesive-free flexible copper-clad laminate is an important factor that directly affects the stability and reliability of electronic devices.
The content of this RSS Feed (c) The Royal Society of Chemistry




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Polyvinyl alcohol as solid proton donor to modify g-C3N4 via hydrogen bonding enabling efficient photocatalytic H2O2 production from H2O and O2

RSC Adv., 2024, 14,12407-12415
DOI: 10.1039/D4RA01746C, Paper
Open Access
Chen Chen, Fengtiao Liao, Xiangcheng Zhang, Silian Cheng, Yu Deng, Chao Chen, Mingce Long
PVA modifies graphitic carbon nitride via hydrogen bonds to boost H2O2 production by enhancing charge separation and acting as solid proton donor.
The content of this RSS Feed (c) The Royal Society of Chemistry




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The influence of hydrogen bonding on the structure of organic–inorganic hybrid catalysts and its application in the solvent-free epoxidation of α-olefins

RSC Adv., 2024, 14,12853-12863
DOI: 10.1039/D4RA01399A, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Hong-Bin Ju, Li-Zhi Zhang, De-Bao Li, Tao Geng, Ya-Jie Jiang, Ya-Kui Wang
Different reaction routes with the influence of hydrogen bonding and without hydrogen bonding.
The content of this RSS Feed (c) The Royal Society of Chemistry




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Formation of H-bonding networks in the solid state structure of a trinuclear cobalt(III/II/III) complex with N2O2 donor Schiff base ligand and glutaric acid as bridging co-ligand: synthesis, structure and DFT study

RSC Adv., 2024, 14,13200-13208
DOI: 10.1039/D3RA07697K, Paper
Open Access
Sovana Maity, Sudip Bhunia, Michael G. B. Drew, Rosa M. Gomila, Antonio Frontera, Shouvik Chattopadhyay
Formation of hydrogen bonding network in a trinuclear linear mixed-valence centrosymmetric cobalt(III)–cobalt(II)–cobalt(III) complex has been analyzed using DFT calculations.
The content of this RSS Feed (c) The Royal Society of Chemistry




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Physically crosslinked polyacrylates by quadruple hydrogen bonding side chains

J. Mater. Chem. B, 2024, Advance Article
DOI: 10.1039/D4TB01702A, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Jente Verjans, Alexis André, Tomáš Sedlačík, Resat Aksakal, Evelyne van Ruymbeke, Richard Hoogenboom
Dynamic polymer materials with improved mechanical properties can be obtained by introducing supramolecular interactions between the polymer chains as demonstrated here by introducing ureidopyrimidinone quadruple hydrogen bonding units in the side chains of polyacrylates.
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The content of this RSS Feed (c) The Royal Society of Chemistry




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The effect of hydrogen bonding on the π depletion and the π–π stacking interaction

Phys. Chem. Chem. Phys., 2024, 26,27431-27438
DOI: 10.1039/D4CP02889A, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Usman Ahmed, Dage Sundholm, Mikael P. Johansson
Calculations on molecules with self-complementary hydrogen bonding show that hydrogen bonds increase the energy of π–π stacking interactions.
The content of this RSS Feed (c) The Royal Society of Chemistry




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Effects of oxidizer concentration and abrasive type on interfacial bonding and material removal in 4H-SiC polishing processes

Phys. Chem. Chem. Phys., 2024, 26,27791-27806
DOI: 10.1039/D4CP03544E, Paper
Yuqi Zhou, Kezhong Xu, Yuhan Gao, Ziniu Yu, Fulong Zhu
Two different modes of material removal are defined based on the difference in the mode of atom removal, i.e., mechanical removal and removal associated with interfacial bonding.
The content of this RSS Feed (c) The Royal Society of Chemistry




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Unveiling distinct bonding patterns in noble gas hydrides via interference energy analysis

Phys. Chem. Chem. Phys., 2024, Advance Article
DOI: 10.1039/D4CP04028G, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Lucas Araujo, Marco A. C. Nascimento, Thiago M. Cardozo, Felipe Fantuzzi
SCGVB calculations show that in noble gas hydride ions NgH+ (Ng = He–Ar), energy well formation is driven by quantum interference. At equilibrium bond lengths, HeH+ and ArH+ exhibit covalent Ng+–H bonds, while NeH+ possesses a dative Ne → H+ bond.
To cite this article before page numbers are assigned, use the DOI form of citation above.
The content of this RSS Feed (c) The Royal Society of Chemistry




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Theoretical Insights into the Vibrational Spectra and Chemical Bonding of Ln(III) Complexes with a Tripodal N4O3 Ligand Along the Lanthanide Series

Phys. Chem. Chem. Phys., 2024, Accepted Manuscript
DOI: 10.1039/D4CP03677H, Paper
Francielle C Machado, Mateus M Quintano, Carlos Vital dos Santos Junior, Albano Carneiro Neto, Elfi Kraka, Ricardo Luiz Longo, Renaldo Tenorio Moura Jr.
{This study provides new theoretical insights into the vibrational spectra of Ln(III) complexes, along the lanthanide series by utilizing the LModeAGen protocol and integrating cutting-edge topological ideas. It provides a...
The content of this RSS Feed (c) The Royal Society of Chemistry




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Intermolecular Hydrogen Bonding Delineates Stability of Non-canonical Adenine Base Pairs: A First-Principles Study

Phys. Chem. Chem. Phys., 2024, Accepted Manuscript
DOI: 10.1039/D4CP02875A, Paper
Nicholas Adu-Effah, Nabanita Saikia
Non-canonical nucleobase pairs differ from canonical Watson-Crick (WC) pairs in their hydrogen bonding patterns. This study uses density functional theory with empirical dispersion correction to examine the stability and electronic...
The content of this RSS Feed (c) The Royal Society of Chemistry




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Elucidating the interplay between entropy-driven and patch-mediated bonding in directing nanoscale assemblies

Mol. Syst. Des. Eng., 2024, Advance Article
DOI: 10.1039/D4ME00153B, Paper
Kireeti Akkunuri, Xiangyu Zhang, Thi Vo
The interplay between directional patchy attraction and shape-driven entropic forces sculpts the spatial and orientational orderings between anisotropic building blocks, giving rise to symmetry breaking of pre-programmed interactions between particles.
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The content of this RSS Feed (c) The Royal Society of Chemistry




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Structural diversity and tetrel bonding significance in lead(II) complexes with pyrazoylisonicotinoylhydrazone and varied anionic co-ligands

CrystEngComm, 2024, Accepted Manuscript
DOI: 10.1039/D4CE00325J, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Ghodrat Mahmoudi, Isabel Garcia-Santos, Roi Fernández-Vázquez, Rosa Maria Gomila, Alfonso Castineiras, Esmail Doustkhah, Ennio Zangrando, Antonio Frontera
Four lead(II) complexes featuring pyrazoylisonicotinoylhydrazone ligand paired with various anionic co-ligands (azido, thiocyanato, nitrito, and nitrato) were synthesized and thoroughly examined using structural, analytical, and spectroscopic techniques. These ligands, in...
The content of this RSS Feed (c) The Royal Society of Chemistry




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Multiple hydrogen bonding in crosslinked graphene oxide films with improved stretchability and toughness

Mater. Chem. Front., 2024, 8,3724-3730
DOI: 10.1039/D4QM00571F, Research Article
Mengling Yang, Chunyu Wang, Wenbin Wang, Li Yang, Shaolei Qu, Zhaoming Zhang, Xuzhou Yan
The UPy-rich polymers have been utilized to toughen and strengthen graphene oxide films through quadruple hydrogen-bonding, which offered a promising route for developing high-performance two-dimensional materials.
The content of this RSS Feed (c) The Royal Society of Chemistry




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Chemical bonding in Swedish upper secondary school education: a force-based teaching model for enhanced understanding

Chem. Educ. Res. Pract., 2025, Accepted Manuscript
DOI: 10.1039/D4RP00258J, Paper
Catalin Koro Arvidsson
This study investigates if a force-based teaching approach, based on quantum mechanical principles and developed in a lesson study, would enhance the understanding of chemical bonding among upper secondary school...
The content of this RSS Feed (c) The Royal Society of Chemistry




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Synergistic role of hydrogen bonding and band degeneracy leads to enhanced X-ray detection in HPIP-(NH4)0.7Cs0.3Br3·H2O perovskites

Inorg. Chem. Front., 2024, Advance Article
DOI: 10.1039/D4QI00272E, Research Article
Pengxiang Dong, Chensheng Lin, Xin Zhao, Yicong Lv, Ning Ye, Min Luo
This work shows the innovative introduction of Cs+ into molecular perovskites to co-occupy with NH4+, synthesis of the HPIP-(NH4)0.7Cs0.3Br3·H2O perovskite, and fabrication of an X-ray detector with excellent overall performance and superior environmental stability.
To cite this article before page numbers are assigned, use the DOI form of citation above.
The content of this RSS Feed (c) The Royal Society of Chemistry




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Reversible bonding in thermoplastic elastomer microfluidic platforms for harvestable 3D microvessel networks

Lab Chip, 2024, 24,4948-4961
DOI: 10.1039/D4LC00530A, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Byeong-Ui Moon, Kebin Li, Lidija Malic, Keith Morton, Han Shao, Lauren Banh, Sowmya Viswanathan, Edmond W. K. Young, Teodor Veres
An openable, reversibly bonded microfluidic cell culture platform fabricated in thermoplastic elastomer and polystyrene for the generation, recovery, and extraction of engineered-microvessel networks.
The content of this RSS Feed (c) The Royal Society of Chemistry




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Bonding with one's student

Teachers need to master two secrets to be successful in their careers.




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The Bonding Situations in Ruthenium Chalcogenonitrosyl Compounds: A Physical Reasoning

Dalton Trans., 2024, Accepted Manuscript
DOI: 10.1039/D4DT02680B, Paper
Richard Fragnani Cardoso, Vinícius Acir Glitz, Renato Luis Tame Parreira, Giovanni Finoto Caramori, Luis Henrique Silveira Lacerda
This research presents, for the first time, a comprehensive and rigorous investigation of ruthenium(II) chalcogenonitrosyl bonding situations in two sets of coordination compounds: [Ru(NE)Cl2(L_{OEt})] (1a-4a) and [Ru(NE)Cl2(L_{OEt})]- (1b-4b), where E...
The content of this RSS Feed (c) The Royal Society of Chemistry




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Heats of formation on the way from B2H6 to B20H16: thermochemical consequences of multicenter bonding in ab initio and DFT methods

Dalton Trans., 2024, Advance Article
DOI: 10.1039/D4DT02589J, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Jindřich Fanfrlík, Jan Řezáč, Drahomír Hnyk, Josef Holub
The objective of this study is to evaluate the effectiveness of various computational methods in reproducing the experimental heats of formation of boron hydrides using the atomization energy approach.
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The content of this RSS Feed (c) The Royal Society of Chemistry




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Bonding beyond boardrooms

To Paul Mathew, theatre is an effective management tool that can promote holistic thinking




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N-Heterocyclic carbene-stabilized gold–copper nanoclusters: synthesis, bonding and mechanochromism

Nanoscale, 2024, 16,20228-20234
DOI: 10.1039/D4NR03320E, Paper
Dongjie Zuo, Huifang Guo, Qinghua Xu, Ayisha He, Zilin Li, Simin Li, Hui Shen
The first gold–copper alloy cluster protected by both NHC and alkyne ligands was reported. The cluster displays interesting mechanochromic properties, highlighting the bright future of NHC-functionalized metal nanoclusters in materials science.
The content of this RSS Feed (c) The Royal Society of Chemistry




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Fetching fluoride with hydrogen bonding

Catalyst spurs insoluble salts into action as nucleophiles for enantioselective reactions




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Kolkatan who returns to Durga Puja after 20 years: ‘Crowds still there but no bonding, people are alone clicking selfies’

According to Arpita Mandal, the City of Joy, now that she’s two decades older, is today less suitable for pandal-hopping, due to the massive crowds, and more suitable for cafe-hopping, with plenty of eateries mushrooming even in residential neighbourhoods




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Relevant π-hole tetrel bonding interactions in ethyl 2-triazolyl-2-oxoacetate derivatives: Hirshfeld surface analysis and DFT calculations

CrystEngComm, 2020, Advance Article
DOI: 10.1039/D0CE00335B, Paper
Muhammad Naeem Ahmed, Khawaja Ansar Yasin, Shahid Aziz, Saba Urooge Khan, Muhammad Nawaz Tahir, Diego Mauricio Gil, Antonio Frontera
We report the synthesis and X-ray characterization of four triazole derivatives that include an α-ketoester functionality and two phenyl substituents. The compounds form self-assembled dimers in the solid state establishing two symmetrically equivalent O⋯π-hole interactions.
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Synthesis, detailed geometric analysis and bond-valence method evaluation of the strength of π-arene bonding of two isotypic cationic prehnitene tin(II) complexes: [{1,2,3,4-(CH3)4C6H2}2Sn2Cl2][MCl4]2 (M = Al and Ga)

From solutions of prehnitene and the ternary halides (SnCl)[MCl4] (M = Al, Ga) in chloro­benzene, the new cationic SnII–π-arene complexes catena-poly[[chlorido­aluminate(III)]-tri-μ-chlorido-4':1κ2Cl,1:2κ4Cl-[(η6-1,2,3,4-tetra­meth­yl­benzene)­tin(II)]-di-μ-chlorido-2:3κ4Cl-[(η6-1,2,3,4-tetra­methyl­benzene)­tin(II)]-di-μ-chlorido-3:4κ4Cl-[chlorido­aluminate(III)]-μ-chlorido-4:1'κ2Cl], [Al2Sn2Cl10(C10H14)2]n, (1) and catena-poly[[chlorido­gallate(III)]-tri-μ-chlor­ido-4':1κ2Cl,1:2κ4Cl-[(η6-1,2,3,4-tetra­methyl­benzene)­tin(II)]-di-μ-chlorido-2:3κ4Cl-[(η6-1,2,3,4-tetra­methyl­benzene)­tin(II)]-di-μ-chlorido-3:4κ4Cl-[chlor­ido­gallate(III)]-μ-chlorido-4:1'κ2Cl], [Ga2Sn2Cl10(C10H14)2]n, (2), were isolated. In these first main-group metal–prehnitene complexes, the distorted η6 arene π-bonding to the tin atoms of the Sn2Cl22+ moieties in the centre of [{1,2,3,4-(CH3)4C6H2}2Sn2Cl2][MCl4]2 repeating units (site symmetry overline{1}) is characterized by: (i) a significant ring slippage of ca 0.4 Å indicated by the dispersion of Sn—C distances [1: 2.881 (2)–3.216 (2) Å; 2: 2.891 (3)–3.214 (3) Å]; (ii) the non-methyl-substituted arene C atoms positioned closest to the SnII central atom; (iii) a pronounced tilt of the plane of the arene ligand against the plane of the central (Sn2Cl2)2+ four-membered ring species [1: 15.59 (11)°, 2: 15.69 (9)°]; (iv) metal–arene bonding of medium strength as illustrated by application of the bond-valence method in an indirect manner, defining the π-arene bonding inter­action of the SnII central atoms as s(SnII—arene) = 2 − Σs(SnII—Cl), that gives s(SnII—arene) = 0.37 and 0.38 valence units for the aluminate and the gallate, respectively, indicating that comparatively strong main-group metal–arene bonding is present and in line with the expectation that [AlCl4]− is the slightly weaker coordinating anion as compared to [GaCl4]−.




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Inter­molecular hydrogen bonding in isostructural pincer complexes [OH-(t-BuPOCOPt-Bu)MCl] (M = Pd and Pt)

In the crystal structure of the isostructural title compounds, namely {2,6-bis­[(di-tert-butyl­phosphan­yl)­oxy]-4-hy­droxy­phen­yl}chlorido­palladium(II), [Pd(C22H39O3P2)Cl], 1, and {2,6-bis­[(di-tert-butyl­phosphan­yl)­oxy]-4-hy­droxy­phen­yl}chlorido­platinum(II), [Pt(C22H39O3P2)Cl], 2, the metal centres are coordinated in a distorted square-planar fashion by the POCOP pincer fragment and the chloride ligand. Both complexes form strong hydrogen-bonded chain structures through an inter­action of the OH group in the 4-position of the aromatic POCOP backbone with the halide ligand.




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Multicentered hydrogen bonding in 1-[(1-de­oxy-β-d-fructo­pyranos-1-yl)aza­nium­yl]cyclo­pentane­carboxyl­ate (`d-fructose-cyclo­leucine')

The title compound, C12H21NO7, (I), is conformationally unstable; the predominant form present in its solution is the β-pyran­ose form (74.3%), followed by the β- and α-furan­oses (12.1 and 10.2%, respectively), α-pyran­ose (3.4%), and traces of the acyclic carbohydrate tautomer. In the crystalline state, the carbohydrate part of (I) adopts the 2C5 β-pyran­ose conformation, and the amino acid portion exists as a zwitterion, with the side chain cyclo­pentane ring assuming the E9 envelope conformation. All heteroatoms are involved in hydrogen bonding that forms a system of anti­parallel infinite chains of fused R33(6) and R33(8) rings. The mol­ecule features extensive intra­molecular hydrogen bonding, which is uniquely multicentered and involves the carboxyl­ate, ammonium and carbohydrate hy­droxy groups. In contrast, the contribution of inter­molecular O⋯H/H⋯O contacts to the Hirshfeld surface is relatively low (38.4%), as compared to structures of other d-fructose-amino acids. The 1H NMR data suggest a slow rotation around the C1—C2 bond in (I), indicating that the intra­molecular heteroatom contacts survive in aqueous solution of the mol­ecule as well.




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Crystal structures and hydrogen-bonding analysis of a series of solvated ammonium salts of molybdenum(II) chloride clusters

Charge-assisted hydrogen bonding plays a significant role in the crystal structures of solvates of ionic com­pounds, especially when the cation or cations are primary ammonium salts. We report the crystal structures of four ammonium salts of molybdenum halide cluster solvates where we observe significant hydrogen bonding between the solvent molecules and cations. The crystal structures of bis­(anilinium) octa-μ3-chlorido-hexa­chlorido-octa­hedro-hexa­molybdate N,N-di­­methyl­formamide tetra­solvate, (C6H8N)2[Mo6Cl8Cl6]·4C3H7NO, (I), p-phenyl­enedi­ammonium octa-μ3-chlorido-hexa­chlorido-octa­hedro-hexa­mol­yb­date N,N-di­methyl­formamide hexa­solvate, (C6H10N2)[Mo6Cl8Cl6]·6C3H7NO, (II), N,N'-(1,4-phenyl­ene)bis­(propan-2-iminium) octa-μ3-chlorido-hexa­chlo­rido-octa­hedro-hexa­molybdate acetone tris­olvate, (C12H18N2)[Mo6Cl8Cl6]·3C3H6O, (III), and 1,1'-dimethyl-4,4'-bipyridinium octa-μ3-chlo­rido-hexa­chlorido-octa­hedro-hexa­molybdate N,N-di­methyl­formamide tetra­solvate, (C12H14N2)[Mo6Cl8Cl6]·4C3H7NO, (IV), are reported and described. In (I), the anilinium cations and N,N-di­methyl­formamide (DMF) solvent mol­ecules form a cyclic R42(8) hydrogen-bonded motif centered on a crystallographic inversion center with an additional DMF mol­ecule forming a D(2) inter­action. The p-phenyl­enedi­ammonium cation in (II) forms three D(2) inter­actions between the three N—H bonds and three independent N,N-di­methyl­formamide mol­ecules. The dication in (III) is a protonated Schiff base solvated by acetone mol­ecules. Compound (IV) contains a methyl viologen dication with N,N-di­methyl­formamide mol­ecules forming close contacts with both aromatic and methyl H atoms.




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A redetermination of the crystal structure of the mannitol complex NH4[Mo2O5(C6H11O6)]·H2O: hydrogen-bonding scheme and Hirshfeld surface analysis

The redetermined structure [for the previous study, see: Godfrey & Waters (1975). Cryst. Struct. Commun. 4, 5–8] of ammonium μ-oxido-μ-[1,5,6-tri­hydroxy­hexane-2,3,4-tris­(olato)]bis­[dioxidomolybdenum(V)] monohydrate, NH4[Mo2(C6H11O6)O5]·H2O, was obtained from an attempt to prepare a glutamic acid complex from the [Co2Mo10H4O38]6− anion. Subsequent study indicated the complex arose from a substantial impurity of mannitol in the glutamic acid sample used. All hydrogen atoms have been located in the present study and the packing displays N—H⋯O, O—H⋯O and C—H⋯O hydrogen bonds. A Hirshfeld surface analysis was also performed.




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Hydrogen-bonding patterns in 2,2-bis­(4-methyl­phen­yl)hexa­fluoro­propane pyridinium and ethyl­enedi­ammonium salt crystals

The crystal structures of two salt crystals of 2,2-bis­(4-methyl­phen­yl)hexa­fluoro­propane (Bmphfp) with amines, namely, dipyridinium 4,4'-(1,1,1,3,3,3-hexa­fluoro­propane-2,2-di­yl)dibenzoate 4,4'-(1,1,1,3,3,3-hexa­fluoro­propane-2,2-di­yl)di­benzoic acid, 2C5H6N+·C17H8F6O42−·C17H10F6O4, (1), and a monohydrated ethyl­enedi­ammonium salt ethane-1,2-diaminium 4,4'-(1,1,1,3,3,3-hexa­fluoro­propane-2,2-di­yl)dibenzoate monohydrate, C2H10N22+·C17H8F6O42−·H2O, (2), are reported. Compounds 1 and 2 crystallize, respectively, in space group P21/c with Z' = 2 and in space group Pbca with Z' = 1. The crystals of compound 1 contain neutral and anionic Bmphfp mol­ecules, and form a one-dimensional hydrogen-bonded chain motif. The crystals of compound 2 contain anionic Bmphfp mol­ecules, which form a complex three-dimensional hydrogen-bonded network with the ethyl­enedi­amine and water mol­ecules.




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Strong hydrogen bonding in a dense hydrous magnesium silicate discovered by neutron Laue diffraction

A large amount of hydrogen circulates inside the Earth, which affects the long-term evolution of the planet. The majority of this hydrogen is stored in deep Earth within the crystal structures of dense minerals that are thermodynamically stable at high pressures and temperatures. To understand the reason for their stability under such extreme conditions, the chemical bonding geometry and cation exchange mechanism for including hydrogen were analyzed in a representative structure of such minerals (i.e. phase E of dense hydrous magnesium silicate) by using time-of-flight single-crystal neutron Laue diffraction. Phase E has a layered structure belonging to the space group R3m and a very large hydrogen capacity (up to 18% H2O weight fraction). It is stable at pressures of 13–18 GPa and temperatures of up to at least 1573 K. Deuterated high-quality crystals with the chemical formula Mg2.28Si1.32D2.15O6 were synthesized under the relevant high-pressure and high-temperature conditions. The nuclear density distribution obtained by neutron diffraction indicated that the O—D dipoles were directed towards neighboring O2− ions to form strong interlayer hydrogen bonds. This bonding plays a crucial role in stabilizing hydrogen within the mineral structure under such high-pressure and high-temperature conditions. It is considered that cation exchange occurs among Mg2+, D+ and Si4+ within this structure, making the hydrogen capacity flexible.




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Study: Male bonding brings peace, lets primates live in big groups

While studying the social dynamics of the bearded saki, a primate living in the rainforests of Suriname, primatologist Tremaine Gregory of the Smithsonian Conservation Biology […]

The post Study: Male bonding brings peace, lets primates live in big groups appeared first on Smithsonian Insider.




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Deciphering the hydrogen-bonding scheme in the crystal structure of tri­phenyl­methanol: a tribute to George Ferguson and co-workers

The crystal structure of tri­phenyl­methanol, C19H16O, has been redetermined using data collected at 295 and 153 K, and is compared to the model published by Ferguson et al. over 25 years ago [Ferguson et al. (1992). Acta Cryst. C48, 1272–1275] and that published by Serrano-González et al., using neutron and X-ray diffraction data [Serrano-González et al. (1999). J. Phys. Chem. B, 103, 6215–6223]. As predicted by these authors, the hy­droxy groups are involved in weak inter­molecular hydrogen bonds in the crystal, forming tetra­hedral tetra­­mers based on the two independent mol­ecules in the asymmetric unit, one of which is placed on the threefold symmetry axis of the Roverline{3} space group. However, the reliable determination of the hy­droxy H-atom positions is difficult to achieve, for two reasons. Firstly, a positional disorder affects the full asymmetric unit, which is split over two sets of positions, with occupancy factors of ca 0.74 and 0.26. Secondly, all hy­droxy H atoms are further disordered, either by symmetry, or through a positional disorder in the case of parts placed in general positions. We show that the correct description of the hydrogen-bonding scheme is possible only if diffraction data are collected at low temperature. The pro­chiral character of the hydrogen-bonded tetra­meric supra­molecular clusters leads to enanti­omorphic three-dimensional graphs in each tetra­mer. The crystal is thus a racemic mixture of supS and supR motifs, consistent with the centro­symmetric nature of the Roverline{3} space group.




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LaTe1.82(1): modulated crystal structure and chemical bonding of a chalcogen-deficient rare earth metal polytelluride

Crystals of the rare earth metal polytelluride LaTe1.82(1), namely, lanthanum telluride (1/1.8), have been grown by molten alkali halide flux reactions and vapour-assisted crystallization with iodine. The two-dimensionally incommensurately modulated crystal structure has been investigated by X-ray diffraction experiments. In contrast to the tetra­gonal average structure with unit-cell dimensions of a = 4.4996 (5) and c = 9.179 (1) Å at 296 (1) K, which was solved and refined in the space group P4/nmm (No. 129), the satellite reflections are not compatible with a tetra­gonal symmetry but enforce a symmetry reduction. Possible space groups have been derived by group–subgroup relationships and by consideration of previous reports on similar rare earth metal polychalcogenide structures. Two structural models in the ortho­rhom­bic superspace group, i.e. Pmmn(α,β,1 over 2)000(−α,β,1 over 2)000 (No. 59.2.51.39) and Pm21n(α,β,1 over 2)000(−α,β,1 over 2)000 (No. 31.2.51.35), with modulation wave vectors q1 = αa* + βb* + 1 over 2c* and q2 = −αa* + βb* + 1 over 2c* [α = 0.272 (1) and β = 0.314 (1)], have been established and evaluated against each other. The modulation describes the distribution of defects in the planar [Te] layer, coupled to a displacive modulation due to the formation of different Te anions. The bonding situation in the planar [Te] layer and the different Te anion species have been investigated by density functional theory (DFT) methods and an electron localizability indicator (ELI-D)-based bonding analysis on three different approximants. The temperature-dependent electrical resistance revealed a semiconducting behaviour with an estimated band gap of 0.17 eV.




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Zeolite separation membrane, method for producing the same, and bonding agent

A separation membrane according to the present invention is characterized by having a porous tube containing an alumina as a main component and an attachment member disposed in a connection position of the porous tube, wherein the porous tube and the attachment member are bonded by a ceramic oxide-based bonding agent containing 17 to 48 wt % of SiO2, 2 to 8 wt % of Al2O3, 24 to 60 wt % of BaO, and 0.5 to 5 wt % of ZnO as essential components and containing at least one of La2O3, CaO, and SrO, and a thin zeolite layer is formed on a surface of the porous tube. The attachment member is bonded to the porous tube before the formation of the zeolite layer. Therefore, the bonding agent can have a melting temperature higher than 600° C., which is the upper heatproof temperature limit of the zeolite. Thus, the ceramic oxide material for the bonding agent can be selected from a wider range of compositions such as glass compositions (without limitations on the glass softening temperature).




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Adhesive bonding composition and method of use

A polymerizable composition includes at least one monomer, a photoinitiator capable of initiating polymerization of the monomer when exposed to light, and a phosphor capable of producing light when exposed to radiation (typically X-rays). The material is particularly suitable for bonding components at ambient temperature in situations where the bond joint is not accessible to an external light source. An associated method includes: placing a polymerizable adhesive composition, including a photoinitiator and energy converting material, such as a down-converting phosphor, in contact with at least two components to be bonded to form an assembly; and, irradiating the assembly with radiation at a first wavelength, capable of conversion (down-conversion by the phosphor) to a second wavelength capable of activating the photoinitiator, to prepare items such as inkjet cartridges, wafer-to-wafer assemblies, semiconductors, integrated circuits, and the like.




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Laser-ignited reactive HAMR bonding

The present disclosure generally relates to a HAMR head and a method for fabrication thereof. The HAMR head has a write head with a waveguide extending therethrough. A laser diode is coupled to a submount that is bonded to the write head using an adhesion layer, a solder structure, and a self-propagating multilayer alloying stack.




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Bonding apparatus and bonding method

The bonding apparatus is capable of effectively increasing temperature of a substrate and reducing occurrence of position gaps and poor connection in a process of flip-chip-bonding semiconductor devices to the substrate. The bonding apparatus comprises: a supporting unit for supporting the substrate, on which the semiconductor devices have been adhered by a non-conductive; and a heating/pressing unit for heating and pressing the substrate, the heating/pressing unit having a built-in heat source and a clamping face, onto which the substrate supported by the supporting unit is pressed. The substrate supported by the supporting unit is moved toward the clamping face of the heating/pressing unit so as to preheat the substrate and the semiconductor devices by radiation heat. Then, the semiconductor devices are pressed onto the clamping face of the heating/pressing unit so as to cure the non-conductive adhesive and bond bumps of the semiconductor devices to terminal sections of the substrate.