Mixed-stack architecture and solvatomorphism of trimeric perfluoro-ortho-phenylene mercury complexes with dithieno[3,2-b:2′,3′-d]thiophene

Raúl Castañeda, Victor N. Khrustalev, Alexandr Fonari, Jean Luc Bredas, Yulia A. Getmanenko, Tatiana V. Timofeeva

Research output: Contribution to journalArticlepeer-review

5 Scopus citations

Abstract

The formation of the mixed-stack donor-acceptor complex of dithieno [3,2-b:2′,3′-d]thiophene (1) and trimeric perfluoro-ortho-phenylene mercury (I) has been investigated under different conditions. Two solvatomorphs - mixed-stack complexes with a 1:1 donor-acceptor ratio and different solvent molecules in the solid state (dichloromethane (2) and dichloroethane (3)) have been obtained and characterized by experimental methods (FT-IR spectroscopy, differential thermogravimetric analysis, and X-ray crystallography) and quantum-chemical calculations at the density functional theory level. The differences in the solid state packing, thermal stability and potential charge-transfer properties of 2 and 3 are discussed.

Original languageEnglish (US)
Pages (from-to)506-512
Number of pages7
JournalJournal of Molecular Structure
Volume1100
DOIs
StatePublished - Aug 14 2015
Externally publishedYes

Keywords

  • Dithieno[3,2-b:2′,3′-d]thiophene
  • Quantum chemistry
  • Secondary interactions
  • Solvatomorphism
  • Trimeric perfluoro-ortho-phenylene mercury
  • X-ray diffraction

ASJC Scopus subject areas

  • Analytical Chemistry
  • Spectroscopy
  • Organic Chemistry
  • Inorganic Chemistry

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