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Electron—molecular-vibration coupling in 7,7,8,8-tetracyano-p-Quinodimethane (TCNQ)

✍ Scribed by N.O. Lipari; C.B. Duke; R. Bozio; A. Girlando; C. Pecile; A. Padva

Publisher
Elsevier Science
Year
1976
Tongue
English
Weight
508 KB
Volume
44
Category
Article
ISSN
0009-2614

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✦ Synopsis

The linear coupling constants desLrlbing the interaction of the one-electron molecular orbitals with the molecular vlbrations in TCNQ are caiculatcd using a semiempirlcal spectroscopically parametcrtzcd CNDO molecular orbital model. The cartcsian displacements for the normal mode of vibrations are computed on the basis of a modified valence force field (MVFF). The calculated vIbrationa progressions associated with the highest occupied orbitai are in excellent agreement with the observed high resolution photoemission spectrum. The present investigation also confirms the importance of the intramolecuiarccupling for the description of metal-insulator transitions in TTF-TCNQ.

📜 SIMILAR VOLUMES

Conducting and insulating salts of phosp
Conducting and insulating salts of phosphiniminium cations with 7,7,8,8-tetracyano-p-quinodimethane (TCNQ)
✍ Martin R. Bryce; Adrian J. Moore; Y.H. Kim; Z-X. Liu; M.J. Nowak 📂 Article 📅 1987 🏛 Elsevier Science 🌐 French ⚖ 177 KB

A new series of cation-TCNQ salts is described: phosphiniminium cations ( 1) and ( 2) form 1:2 salts with TCNQ that are organic conductors (art 0.05-0.15 S cm-l) whereas cations ( 3) and ( 4) form insulating 1:l salts;

Determination of charge transfer in moly
Determination of charge transfer in molybdenum complexes of 7,7,8,8-tetracyano-p-quinodimethane with vibrational spectroscopy
✍ E Faulques; A Leblanc; P Molinié; M Decoster; F Conan; J.E Guerchais; J Sala-Pal 📂 Article 📅 1995 🏛 Elsevier Science 🌐 English ⚖ 887 KB

The influence of charge transfer on the vibrational lines of three new molybdenum TCNQ complexes [MoO(dtc)3](TCNQ ) la, [Mo(dtc)4](TCNQ) 2a, and [Mo(dtc)4](TCNQ)2 3a is reported (dtc = Et2NCS2). It is shown that Raman scattering is able to probe the charge state of TCNQ entities in these complexes.

Exchange Interactions at the Supramolecu
Exchange Interactions at the Supramolecular Level − Synthesis, Crystal Structure, Magnetic Properties, and EPR Spectra of [Mn(MAC)(TCNQ)2] (MAC = Pentaaza Macrocyclic Ligand; TCNQ·− = Radical Anion of 7,7,8,8-Tetracyano-p-quinodimethane)
✍ Augustin M. Madalan; Violeta Voronkova; Ravil Galeev; Ludmila Korobchenko; Jörg 📂 Article 📅 2003 🏛 John Wiley and Sons 🌐 English ⚖ 120 KB 👁 1 views

## Abstract The reaction between [Mn(MAC)(H~2~O)~2~]Cl~2~·4H~2~O and LiTCNQ (MAC = 2,13‐dimethyl‐3,6,9,12,18‐pentaazabicyclo[12.3.1]octadeca‐1(18),2,12,14,16‐pentaene) affords a complex with the formula [Mn(MAC)(TCNQ)~2~] (1), whose crystal structure has been determined. Its structure consists of n