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Analysis of the transmission mechanism of NMR spin-spin coupling constants using fermi contact spin density distribution, partial spin polarization and orbital currents: XH(sub n) molecules

Authors :
Anan Wu
Grafenstein, Jurgen
Cremer, Dieter
Source :
Journal of Physical Chemistry A. Sept 11, 2003, Vol. 107 Issue 36, 7043-7056
Publication Year :
2003

Abstract

The fermi contact spin density contribution to the isotropic scalar spin-spin coupling constants is studied. It is demonstrated that irregularities in the trends of the measured spin-spin coupling constants (SSCC) can be explained as a simple result of electronegativity and polarizability of the central atom X.

Details

Language :
English
ISSN :
10895639
Volume :
107
Issue :
36
Database :
Gale General OneFile
Journal :
Journal of Physical Chemistry A
Publication Type :
Academic Journal
Accession number :
edsgcl.123312208