Structural, spectroscopic, and computational studies of [2,2′-bithiophene]-5-carboxylic acid

Jeffrey D. Einkauf, Logesh Mathivathanan, Daniel T. De Lill

Research output: Contribution to journalArticlepeer-review

5 Scopus citations

Abstract

The crystal structure of [2,2′-bithiophene]-5-carboxylic acid was obtained from in-situ decarboxylation of [2,2′-bithiophene]-5,5′-dicarboxylic acid during solvothermal treatment. UV-Vis absorption and fluorescence spectroscopies were conducted in solution and solid-state on these two molecules as well as the precursor, 2,2′-bithiophene. These molecules were modeled using DFT level of theory to explain the observed structural features and spectroscopy.

Original languageEnglish
Pages (from-to)33-39
Number of pages7
JournalJournal of Molecular Structure
Volume1104
DOIs
StatePublished - Jan 15 2016
Externally publishedYes

Funding

The authors gratefully thank Florida Atlantic University for the funding of this research. The authors would also like to thank Professor Raphael G. Raptis and Florida International University for access to the X-ray diffractometer.

Keywords

  • Bithiophene
  • Crystal structure
  • Molecular modeling
  • Spectroscopy

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