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The observed and calculated oxygen‐17 quadrupolar coupling constant in nitrous oxide
Author(s) -
Wasylishen Roderick E.,
de P. Nicholas A. Martin
Publication year - 1986
Publication title -
magnetic resonance in chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0749-1581
DOI - 10.1002/mrc.1260241204
Subject(s) - chemistry , nitrous oxide , coupling constant , ab initio , scaling , oxygen , yield (engineering) , nitrogen , lattice constant , oxide , ab initio quantum chemistry methods , relaxation (psychology) , computational chemistry , molecular physics , analytical chemistry (journal) , nuclear magnetic resonance , atomic physics , thermodynamics , molecule , quantum mechanics , organic chemistry , physics , psychology , social psychology , geometry , mathematics , diffraction
Nitrogen‐14 and oxygen‐17 NMR spin‐lattice relaxation measurements on nitrous oxide yield a 17 O nuclear quadrupolar coupling constant of 12.4 ± 1.2 MHz. This result compares well with the value of 12.7 MHz obtained by scaling the value calculated using ab initio molecular orbital theory at the 6–31G* level.
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