Synthesis of New Electron Donor ClMe3-TTP

In this study, we synthesized 2-(4-chloro-5-methyl-1,3-dithiol-2-ylidene)-5-(4,5-dimethyl-1,3-dithiol-2-ylidene)-1,3,4,6-tetrathiapentalene (ClMe3-TTP). Results show that the cation radical salts of ClMe3-TTP with PF6- and AsF6- anions show high conductivities (101 S cm-1) at room temperature and se...

Full description

Saved in:
Bibliographic Details
Published in:Bulletin of the Chemical Society of Japan 2015-08, Vol.88 (8), p.1086-1086
Main Authors: Shirahata, Takashi, Kohno, Shuhei, Furuta, Keisuke, Oka, Yusuke, Misaki, Yohji
Format: Article
Language:English
Subjects:
Banded structure
Columns (structural)
Conductivity
Crystal structure
Insulators
Integrals
Mathematical analysis
Radicals
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary:In this study, we synthesized 2-(4-chloro-5-methyl-1,3-dithiol-2-ylidene)-5-(4,5-dimethyl-1,3-dithiol-2-ylidene)-1,3,4,6-tetrathiapentalene (ClMe3-TTP). Results show that the cation radical salts of ClMe3-TTP with PF6- and AsF6- anions show high conductivities (101 S cm-1) at room temperature and semiconducting behavior with low activation energy (24-27 meV). A crystal structure analysis of the PF6- and AsF6- salts reveals a 3:1 donor-anion ratio of these salts. The ClMe3-TTP molecules form one-dimensional columns along the a axis, and tape-structures, connected by the side-by-side S···S interactions, also form along the a axis. The calculated intracolumn and intratape overlap integrals are relatively large; however, the overlap integrals between the one-dimensional columns and the tapes are approximately 1/2-1/5 the value of the intracolumn and intratape overlap integrals. The band calculations suggest that they have one-dimensional electronic structures, indicating that they would comprise a Mott insulator.
ISSN:0009-2673
1348-0634