Experimental and theoretical study of the intramolecular C-H⋯N and C-H⋯S hydrogen bonding effects in the 1H and 13C NMR spectra of the 2-(alkylsulfanyl)-5-amino-1-vinylpyrroles: A particular state of amine nitrogen

Magnetic Resonance in Chemistry

Volumn 51, Issue 7, 2013, Pages 414-423

  Afonin, Andrei V ^a   Pavlov, Dmitry V ^a   Albanov, Alexander I ^a   Tarasova, Ol'Ga A ^a   Nedolya, Nina A ^a  

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

Author keywords

C H N and C H S intramolecular hydrogen bonds; MP2 and GIAO calculations; NMR; pyrroles; QTAIM analysis

Indexed keywords

AROMATIC COMPOUNDS; CHEMICAL SHIFT; COMPLEXATION; HYDROGEN BONDS; NITROGEN; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; QUANTUM CHEMISTRY; QUANTUM THEORY;

AMINE NITROGEN; ATOMS-IN-MOLECULES ANALYSIS; C-H⋯N AND C-H⋯S INTRAMOLECULAR HYDROGEN BOND; COUPLING CONSTANTS; INTRAMOLECULAR HYDROGEN BOND; MP2 AND GIAO CALCULATION; PYRROLE; QUANTUM THEORY OF ATOM IN MOLECULE ANALYSE; QUANTUM THEORY OF ATOMS IN MOLECULES; SPECTRAL ANOMALIES;

CONFORMATIONS;

EID: 84879116302     PISSN: 07491581     EISSN: 1097458X     Source Type: Journal    
DOI: 10.1002/mrc.3967     Document Type: Article

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