SCF calculations of some electronic properties of tetrathiofulvalene and of some methyl-substituted tetrathiofulvalenes

Mark A. Ratner*, John R. Sabin, E. E. Ball

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

6 Scopus citations

Abstract

Semi-empirical CNDO/2 calculations have been carried out on tetrathiofulvalene (TTF) and its methyl substituted derivatives. The electronic structure and charge distribution in these molecules is discussed, with particular reference to its role in the high conductivity charge transfer salts.

Original languageEnglish (US)
Pages (from-to)393-397
Number of pages5
JournalChemical Physics Letters
Volume28
Issue number3
DOIs
StatePublished - Oct 1 1974

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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