A non-Karplus effect: Evidence from phosphorus heterocycles and DFT calculations of the dependence of vicinal phosphorus-hydrogen NMR coupling constants on lone-pair conformation

Journal of Organic Chemistry

Volumn 77, Issue 11, 2012, Pages 4968-4979

  Hersh, William H ^a   Lam, Sherrell T ^a   Moskovic, Daniel J ^a   Panagiotakis, Antonios J ^a  

^a CITY UNIVERSITY OF NEW YORK   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COUPLING CONSTANTS; DFT CALCULATION; EXPERIMENTAL EVIDENCE; HYDROGEN ATOMS; LONE PAIR; NMR COUPLING; NMR DATA; NMR SPECTRUM; PHOSPHORUS HETEROCYCLES; TEMPERATURE DEPENDENT;

AMINO ACIDS; DENSITY FUNCTIONAL THEORY; DIHEDRAL ANGLE; HYDROGEN; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; SULFUR COMPOUNDS;

PHOSPHORUS;

1,3,2 OXAZAPHOSPHOLIDINE; 5 OXO 2 PHENYL 3 P TOLUENESULFONYL 1,3,2 OXAZAPHOSPHOLIDINE; GLYCINE DERIVATIVE; HETEROCYCLIC COMPOUND; HYDROGEN; NITROGEN; PHOSPHORUS; SULFONAMIDE; UNCLASSIFIED DRUG;

ARTICLE; CHEMICAL BOND; CONFORMATION; CRYSTAL STRUCTURE; DENSITY FUNCTIONAL THEORY; PROTON NUCLEAR MAGNETIC RESONANCE; SYNTHESIS; TEMPERATURE DEPENDENCE;

HYDROGEN; HYDROGEN BONDING; MAGNETIC RESONANCE SPECTROSCOPY; MODELS, MOLECULAR; MOLECULAR CONFORMATION; OXAZOLES; PHOSPHORUS; QUANTUM THEORY;

EID: 84861819314     PISSN: 00223263     EISSN: 15206904     Source Type: Journal    
DOI: 10.1021/jo3003776     Document Type: Article

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