Amine-tetrachloromethane charge transfer complexes: a structural and computational study

Abhaya K. Mishra, Galit Parvari, Irit Cohen, Natalia Fridman, Yoav Eichen, Alex M. Szpilman

Research output: Contribution to journalArticlepeer-review

3 Scopus citations


Amine-tetrachloromethane charge-transfer complexes have recently been shown to be useful intermediates in transition-metal free solar light-assisted organic synthetic chemistry. Of particular promise is the complex of 1,4-diazabicyclo[2.2.2]octane (DABCO) which may serve as a starting point for several potential reactions involving oxidation of organic compounds. Here we disclose the crystal structure of the [DABCO•••CCl4] complex, and computational studies of two possible complex structures in their ground state, as well as in their first singlet and first triplet excited states.

Original languageEnglish
Pages (from-to)2082-2089
Number of pages8
JournalJournal of Coordination Chemistry
Issue number11-13
StatePublished - 3 Jul 2018


  • Amines
  • charge-transfer complexes
  • light-induced processes
  • organic synthesis
  • tetrachloromethane


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