CAr-H⋯O hydrogen bonds in substituted isobenzofuranone derivatives: Geometric, topological, and nmr characterization

Journal of Physical Chemistry A

Volumn 116, Issue 29, 2012, Pages 7718-7725

  Sigalov, Mark V ^a   Doronina, Evgeniya P ^b   Sidorkin, Valery F ^b  

^a BEN GURION UNIVERSITY OF THE NEGEV   (Israel)

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

Author keywords

[No Author keywords available]

Indexed keywords

B3LYP METHOD; BASIS SETS; BLUE SHIFT; C-H BOND; GASPHASE; HYDROGEN BOND ENERGY; MAXIMUM VALUES; NMR CHEMICAL SHIFTS; RING SUBSTITUENTS; SOLVATION MODELS; SPIN-SPIN COUPLING CONSTANTS; STRETCHING VIBRATIONS;

ARGON; BOND STRENGTH (CHEMICAL); ELECTRONEGATIVITY; ISOMERS; STRETCHING;

HYDROGEN BONDS;

BENZOFURAN DERIVATIVE; CHLOROFORM; DIMETHYL SULFOXIDE; HYDROGEN;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; GAS; HYDROGEN BOND; KINETICS; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; QUANTUM THEORY; SOLUTION AND SOLUBILITY; STATIC ELECTRICITY; THERMODYNAMICS; X RAY CRYSTALLOGRAPHY;

BENZOFURANS; CHLOROFORM; CRYSTALLOGRAPHY, X-RAY; DIMETHYL SULFOXIDE; GASES; HYDROGEN; HYDROGEN BONDING; KINETICS; MAGNETIC RESONANCE SPECTROSCOPY; MODELS, MOLECULAR; QUANTUM THEORY; SOLUTIONS; STATIC ELECTRICITY; THERMODYNAMICS;

EID: 84864255302     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp304009g     Document Type: Article

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