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Trigonal bipyramidal or square planar? Density functional theory calculations of iron bis(dithiolene) N-heterocyclic carbene complexes

Dalton Trans., 2024, Advance Article
DOI: 10.1039/D4DT02650K, Communication
Katherine Merkel, Alyssa V. B. Santos, Scott Simpson
DFT calculations of 57 iron bis(dithiolene)-N-heterocyclic carbene adducts were conducted to determine what parameters predict their coordination. The properties were compared via regression models to see which best predict the Addison τ parameter.
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Investigating the formation of metal nitride complexes employing a tetradentate bis-carbene bis-phenolate ligand

Dalton Trans., 2024, Accepted Manuscript
DOI: 10.1039/D4DT01765J, Paper
Romain Kunert, Diego Martelino, Samyadeb Mahato, Nicholas Hein, Jason Pulfer, Christian Philouze, Olivier Jarjayes, Fabrice Thomas, Tim Storr
The synthesis of MnV and CrV nitride complexes of a pro-radical tetradentate bis-phenol bis-N-heterocyclic carbene ligand H2LC2O2 were investigated. Employing either azide photolysis of the MnIII precursor complex MnLC2O2(N3) or...
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Bicyclic (Alkyl)(Amino)Carbenes (BICAACs): Synthesis, Characteristics, and Applications

Dalton Trans., 2024, Accepted Manuscript
DOI: 10.1039/D4DT02696A, Perspective
Ankita Sharma, Unnikrishnan Nair K, Subrata Kundu
Carbenes in general and isolable NHCs (N-heterocyclic carbenes) in particular have been useful ligands in recent years. The emergence of CAACs [cyclic(alkyl)(amino)carbenes], BICAACs [bicyclic(alkyl)(amino)carbenes], and many other carbenes has marked...
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Rational fabrication of an anionic zinc carboxylate framework as a fluorescent probe for 2,6-pyridinedicarboxylic acid

Dalton Trans., 2024, Advance Article
DOI: 10.1039/D4DT02529F, Paper
Hui-Hui Xie, Hao Yu, Xiuling Xu, Si-Fu Tang
An anionic zinc carboxylate framework has been fabricated as a fluorescent sensor for the detection of 2,6-pyridinedicarboxylic acid (DPA).
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Design and theoretical analysis of a tunable bifunctional metasurface absorber based on vanadium dioxide and photoconductive silicon

Dalton Trans., 2024, Advance Article
DOI: 10.1039/D4DT02563F, Paper
Changfeng Fu, Xinke Wang, Yicheng Zhang, Jiaxin Ju, Wei Fan, Xiaobo Yan, Lianfu Han
A bifunctional metasurface absorber based on vanadium dioxide (VO2) and photoconductive silicon (PSi) is proposed, which can be switched from dual- to single-broadband absorption by VO2, and the absorptivity is tunable by varying σPSi.
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Tunability of triplet excited states and photophysical behaviour of bis-cyclometalated iridium(III) complexes with imidazo[4,5-f][1,10]phenanthroline

Dalton Trans., 2024, 53,17934-17947
DOI: 10.1039/D4DT01996B, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Katarzyna Choroba, Joanna Palion-Gazda, Mateusz Penkala, Patrycja Rawicka, Barbara Machura
The impact of cyclometalating ligands on the photophysical behaviour of heteroleptic Ir(III) complexes with imidazo[4,5-f][1,10]phenanthroline. [Ir(ppy)2(imphen)]+ is a 3MLLCT emitter, while [Ir(pybzth)2(imphen)]+ has a predominant 3LCN∩C character.
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Beyond the triple bond: unlocking dinitrogen activation with tailored superbase phosphines

Dalton Trans., 2024, Advance Article
DOI: 10.1039/D4DT02703E, Paper
Vilakkathala U. Krishnapriya, Cherumuttathu H. Suresh
Dinitrogen activation has long been a challenging goal in chemistry. Tailored superbase phosphines offer a promising approach to overcome this challenge by going beyond the traditional triple bond.
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Reactions of a geminal Sc/P Lewis pair with pyridotetrazole and beyond

Dalton Trans., 2024, Advance Article
DOI: 10.1039/D4DT02838D, Paper
Yiwen Guan, Xian Xu, Xin Xu
An FLP pyridyl nitrene adduct was isolated from the denitrogenative reaction of the Sc/P complex with pyridotetrazole. FLP reactivity of the Sc/P complex with many small molecules were investigated with the generation of metallacyclic complexes.
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Synthesis of organo-uranium(II) species in the gas-phase using reactions between [UH]+ and nitriles

Dalton Trans., 2024, Advance Article
DOI: 10.1039/D4DT02508C, Paper
Justin G. Terhorst, Theodore A. Corcovilos, Samuel J. Lenze, Michael J. van Stipdonk
A series of gas-phase, σ-bonded [U–R]+ species (R = CH3, C2H3, C2H5, C3H7, or C5H6) can be generated by using preparative tandem mass spectrometry (PTMSn) via ion-molecule reactions between [UH]+ and neutral nitriles.
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Asymmetric triply bridged lanthanide binuclear clusters with distinctly different magnetic behaviors

Dalton Trans., 2024, Accepted Manuscript
DOI: 10.1039/D4DT02652G, Communication
Yue Yang, Yu-Xia Wang, Yu-Zhe Lei, Peng Cheng
Isomorphic binuclear clusters Gd and Dy with antiferromagnetic and ferromagnetic couplings are separately exhibiting single-molecule magnetic behavior and strong magnetocaloric entropy.
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Anchored to beliefs




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Behind the race

Potential sportspersons find government sponsorship hardly enough to sustain a living




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Self-care is the best healing

Work on building your network, wear a smile and genuinely thank those who assist in your daily work




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NanoRaman: correlated tip-enhanced optical spectroscopy and scanning-probe microscopy

Register now: 8 March 2018
A webinar sponsored by HORIBA Scientific




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Karnataka byelection: It is a proxy war between Lad and Reddy in mineral-rich Sandur

Though Sandur has been the hotbed of mining activities, often hitting the headlines for illegal mining, this issue is barely resonating in the campaign




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Heavy fog affects 21 flights at Kempegowda International Airport in Devanahalli in Bengaluru

There were more than 15 delays, and six flights diverted




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Public campaigning for bypolls to end on November 11

The final day of public canvassing will see the Chief Minister and the Deputy Chief Minister besides top leaders of JD(S) and BJP seeking votes in Channapatna




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Guarantee money is deposited to beneficiaries’ bank accounts when election is around the corner, alleges B.Y. Vijayendra




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KSRTC plans to launch Ashwamedha AC buses within 100-km radius of Bengaluru

In contrast to regular Ashwamedha buses, the AC version will be smaller, fully air-conditioned, and equipped with comfortable seating, and amenities like charging ports 




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Model rocketry workshop launched to inspire young innovators in Bengaluru

The workshop is aimed at promoting innovation and technical expertise




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Woman and her associates booked for cheating homemakers in Bengaluru




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Siddaramaiah to launch projects in Mysuru on November 12 and 13




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Chunchankatte Jalapatotsava to be held on Nov. 30, Dec. 1




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Rave party: CCB demanded bribe and sexual favours, alleges RTI activist




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Bengaluru likely to receive light to moderate rainfall till November 15: IMD

It added that from November 13 to 15, fairly widespread with light to moderate rainfall is very likely to occur over south interior Karnataka and coastal Karnataka




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Shepherds, craftspersons to participate in ‘Kurubki’ event in Bengaluru




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Lokayukta conducts raids on three govt. employees in Belagavi




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Karnataka byelections: All set for polling today after weeks of high-decibel campaign

Though the results have little consequence in the number game for the government, the stakes are high for individual leaders




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'Messi has been the boost MLS needed'

Lionel Messi has more than proven his worth for the league and his team at a vitally important time for the sport in North America, where the FIFA World Cup will be staged in 2026.




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Fringe of the fringe : queering punk media history / edited by Kathrin Dreckmann, Elfi Vomberg, Linnea Semmerling.

Berlin : Hatje Cantz, [2023]




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Haight-Ashbury, psychedelics, and the birth of acid rock / Robert J. Campbell ; revised and edited by David P. Szatmary.

Albany, NY : State University of New York Press, [2023]




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Circuit breaking [electronic resource] : using neuroscience-informed psychotherapy to treat psychoactive substance abuse / Robert Youdin.

New York, NY : Oxford University Press , 2024.




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Integrated motivational interviewing and cognitive behavioral therapy (ICBT) [electronic resource] : a practitioners guide / Joseph Hyde, Maria Torres, Win Turner, R. Lyle Cooper.

Hoboken, New Jersey : John Wiley & Sons, Inc., [2024]




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Solution-focused brief therapy with clients managing trauma [electronic resource] / Adam Froerer, Jacqui von Cziffra-Bergs, Johnny Kim, Elliott Connie.

New York, NY : Oxford University Press , 2018.




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Boozers beware: Maharashtra orders sophisticated surveillance of 'watering holes'




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Mumbai artist's diamond portrait of Ratan Tata to be sold for his charities




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Maharashtra key to India's growth story being scripted in Modi 3.0: EAM Jaishankar




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PMAY beneficiaries in Maharashtra's Beed thank PM Modi for affordable housing




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Morning Digest: NSCN-IM threatens armed violence for first time since 2015 agreement; Article 370 cannot be restored by anyone, says PM Modi, and more

Here is a select list of stories to start the day




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IND vs SA second T20I: India needs top-order to bat better against South Africa

India need to address lack of runs from other key batters to ensure that the burden doesn't fall too heavily on their in-form keeper-batter.




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Come September pleases




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Manipur beats Bengal; Uttar Pradesh qualifies for quarterfinals




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Ranji Trophy | Sudip’s unbeaten ton, the silver-lining in Karnataka-Bengal stalemate

Saha’s fifty quashes hopes of a comeback by the hosts; Smaran, Shreyas and Manish take their side to safety after a shaky start; Mayank puts the onus on the batters to iron out their flaws




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With nothing to lose, India will be a dangerous side now, says Ajay Jadeja

Ajay Jadeja, emphasising India’s edge, said: “We may not reach the World Test Championship final, but I believe we can secure the series win.




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Morning Digest: Unidentified terrorist killed in encounter in J&K’s Sopore; Biden, Trump to meet in the White House on November 13, and more

Here is a select list of stories to start the day




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Coco Gauff wins WTA Finals for the first time by rallying to beat Zheng Qinwen

Coco Gauff has won the WTA Finals for the first time by rallying to beat Olympic champion Zheng Qinwen 3-6, 6-4, 7-6 (2) in the final in Riyadh




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Pakistan beats Australia by 8 wickets to clinch ODI series by 2-1

Pakistan has achieved its first win over Australia in a 50-overs series in Australia since 2002 after winning the deciding third one-day international by eight wickets




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Benjamin Bonzi fells Norrie in Metz for first ATP title

The 28-year-old Benjamin Bonzi had climbed to number 42 in the world in 2023 as he reached two ATP finals, but had not won a match in the main draw of an ATP event this year




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U Mumba edge past UP Yoddhas in thrilling PKL match, Haryana Steelers beat Gujarat Giants




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Ponting should be concerned about Australian cricket, not India's: Gautam Gambhir

Gambhir defends Kohli against Ponting’s criticism, emphasising confidence in Indian batters ahead of Australia series