Conformational properties of a pyridyl-substituted cinnamic acid studied by NMR measurements and computations

K. Csankó, P. Forgo, K. Boros, J. Hohmann, P. Sipos, I. Pálinkó

Research output: Article

Abstract

Following a preliminary exploration of the conformational space by the PM3 and HF/6-31 G ab initio methods the conformational characteristics of the scarcely available Z isomer of an α-pyridyl-substituted cinnamic acid dimer [Z-2(3′-pyridyl)-3-phenylpropanoic acid] was studied by NMR spectroscopy (NOESY measurements) in DMSO(d6), methanol(d 4) and chloroform(d1). Calculations predicted that full conjugation was overruled by steric interactions and the rotation of the pyridyl ring was not restricted. NOESY measurements verified indeed that in all three solvents the pyridyl group was virtually freely rotating, while some restriction applied for that of the phenyl group.

Original languageEnglish
Pages (from-to)286-289
Number of pages4
JournalJournal of Molecular Structure
Volume1044
DOIs
Publication statusPublished - júl. 24 2013

ASJC Scopus subject areas

  • Analytical Chemistry
  • Spectroscopy
  • Organic Chemistry
  • Inorganic Chemistry

Fingerprint Dive into the research topics of 'Conformational properties of a pyridyl-substituted cinnamic acid studied by NMR measurements and computations'. Together they form a unique fingerprint.

  • Cite this