Literature DB >> 23852956

Refining the interpretation of near-infrared band shapes in a polyynediyl molecular wire.

Matthias Parthey1, Josef B G Gluyas, Phil A Schauer, Dmitry S Yufit, Judith A K Howard, Martin Kaupp, Paul J Low.   

Abstract

Spinning to improve (band) shape: A blend of theoretical and experimental work demonstrates that the rotational conformation of mixed-valence complexes influences the low-energy (NIR) transitions in such molecules. Interpretations of the NIR band shapes are presented.
Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Keywords:  NIR band shapes; density functional calculations; electron transfer; mixed-valent compounds; rotamer

Year:  2013        PMID： 23852956     DOI： 10.1002/chem.201301747

Source DB:  PubMed          Journal:  Chemistry        ISSN： 0947-6539            Impact factor:   5.236


  2 in total

1.  Interactions between tetrathiafulvalene units in dimeric structures - the influence of cyclic cores.

Authors:  Huixin Jiang; Virginia Mazzanti; Christian R Parker; Søren Lindbæk Broman; Jens Heide Wallberg; Karol Lušpai; Adam Brincko; Henrik G Kjaergaard; Anders Kadziola; Peter Rapta; Ole Hammerich; Mogens Brøndsted Nielsen
Journal:  Beilstein J Org Chem       Date:  2015-06-02       Impact factor: 2.883

2.  The Use of Bridging Ligand Substituents to Bias the Population of Localized and Delocalized Mixed-Valence Conformers in Solution.

Authors:  Parvin Safari; Simon Gückel; Josef B G Gluyas; Stephen A Moggach; Martin Kaupp; Paul J Low
Journal:  Chemistry       Date:  2022-06-23       Impact factor: 5.020
  2 in total

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