Scalar coupling between the 15N centres in methylated 1,8-diaminonaphthalenes and 1,6-diazacyclodecane: To what extent is 2HJNN a reliable indicator of N-N distance?

Chemistry - A European Journal

Volumn 9, Issue 18, 2003, Pages 4523-4535

  Lloyd Jones, Guy C ^a   Harvey, Jeremy N ^a   Hodgson, Paul ^b   Murray, Martin ^a   Woodward, Robert L ^a  

^a UNIVERSITY OF BRISTOL   (United Kingdom)

^b PFIZER GLOBAL RESEARCH AND DEVELOPMENT   (United Kingdom)

Author keywords

Density functional calculations; Hydrogen bonds; NMR spectroscopy; Solvent effects; Spin spin coupling

Indexed keywords

COMPUTER SIMULATION; HYDROGEN BONDS; NITROGEN; SOLUTIONS;

SCALAR COUPLINGS;

NAPHTHALENE;

1,6 DIAZACYCLODECANE DERIVATIVE; 1,8 DIAMINONAPHTHALENE DERIVATIVE; CYCLOALKANE DERIVATIVE; NAPHTHALENE DERIVATIVE; NITROGEN; UNCLASSIFIED DRUG;

ACCELERATION; ARTICLE; CALCULATION; CARBON NUCLEAR MAGNETIC RESONANCE; DENSITY FUNCTIONAL CALCULATION; HYDROGEN BOND; METHYLATION; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; RELIABILITY; SIMULATION;

EID: 0141757141     PISSN: 09476539     EISSN: None     Source Type: Journal    
DOI: 10.1002/chem.200304890     Document Type: Article

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