Investigation of C-H⋯X (X=N, O, S) intramolecular hydrogen bond in 1-vinyl-2-(2′-heteroaryl)pyrroles by ab initio calculations

Journal of Molecular Structure: THEOCHEM

Volumn 680, Issue 1-3, 2004, Pages 127-135

  Afonin, A V ^a   Toryashinova, D S D ^a   Schmidt, E Yu ^a  

^a A E FAVORSKY IRKUTSK INSTITUTE OF CHEMISTRY   (Russian Federation)

Author keywords

Ab initio; Chemical shifts; Intramolecular hydrogen bonding C H X

Indexed keywords

HYDROGEN; NITROGEN; OXYGEN; PYRROLE DERIVATIVE; SULFUR; VINYL DERIVATIVE;

AB INITIO CALCULATION; ARTICLE; ATOM; HYDROGEN BOND; MOLECULE; PROTON NUCLEAR MAGNETIC RESONANCE;

EID: 4143064653     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2004.02.020     Document Type: Article

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