molecular hydrogen

Augmentation of inductive effects through short range intramolecular hydrogen bonds for the improvement of cooperativity of trimeric rosettes

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Mol. Syst. Des. Eng., 2024, 9,345-351
DOI: 10.1039/D4ME00008K, Paper
Andre Nicolai Petelski, Tamara Bundrea, Nélida María Peruchena
Three key design elements improve the binding strength of trimeric rosettes: the direction of hydrogen bonds, the addition of groups with inductive effects, and the presence of ambifunctional intramolecular hydrogen bonds between the substituents.
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molecular hydrogen

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

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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...
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molecular hydrogen

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

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Published On :: 2019-06-21

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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Transformation from helical to layered supramolecular organization of asymmetric perylene diimides via multiple intermolecular hydrogen bonding

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Chem. Sci., 2020, Advance Article
DOI: 10.1039/D0SC01911A, Edge Article
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Mengmeng Li, Wojciech Zajaczkowski, Gangamallaiah Velpula, Daniel Jänsch, Robert Graf, Tomasz Marszalek, Sapun H. Parekh, Yulian Zagranyarski, Kunal Mali, Manfred Wagner, Steven De Feyter, Chen Li, Klaus Müllen, Wojciech Pisula
The solid-state supramolecular organization of asymmetric perylene diimide is transformed from helical to layered self-assembly after thermal annealing.
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molecular hydrogen

[ASAP] Approximating the Strength of the Intramolecular Hydrogen Bond in 2-Fluorophenol and Related Compounds: A New Application of a Classic Technique

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Published On :: Thu, 30 Apr 2020 04:00:00 GMT

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.0c01641


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