Ab Initio MO Studies on Electronic States of DCNQI Molecules
Author:
Affiliation:
1. The Graduate University for Advanced Studies and Institute for Molecular Science, Myodaiji, Okazaki 444-8585, Japan
Publisher
American Chemical Society (ACS)
Subject
Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp981921n
Reference35 articles.
1. The organic π-electron metal system with interaction through mixed-valence metal cation: Electronic and structural properties of radical salts of dicyano-quinodiimine, (DMe-DCNQI)2Cu and (MeCl-DCNQI)2Cu
2. Mixed valency of Cu, electron-mass enhancement, and three-dimensional arrangement of magnetic sites in the organic conductors (R1,R2-N,N’-dicyanoquinonediimine)2Cu (whereR1,R2=CH3,CH3O,Cl,Br)
3. Copper valence fluctuation in the organic conductor (dimethyl-N,N’-dicyanoquinonediimine)2Cu studied by x-ray photoemission spectroscopy
4. Deuterium-Induced Phase Transition of an Organic Metal-An Unusual Isotope Effect
5. The organic metal (Me2-DCNQI)2Cu: Dramatic changes in solid-state properties and crystal structure due to secondary deuterium effects
Cited by 3 articles. 订阅此论文施引文献 订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献
1. First principles study on the electronic structure of the organic conductors (EDT-TSF)2MCl4 (M=Ga and Fe);Physica B: Condensed Matter;2007-08
2. N,N‘-Dicyanoquinone Diimines (DCNQIs): Versatile Acceptors for Organic Conductors;Chemical Reviews;2004-08-26
3. Structures and electronic phases of the bis(ethylenedithio)tetrathiafulvalene (BEDT-TTF) clusters and κ-(BEDT-TTF) salts: A theoretical study based on ab initio molecular orbital methods;The Journal of Chemical Physics;1999-10
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