1993
DOI: 10.1016/0926-2040(93)90010-k
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Conventions for the reporting of nuclear magnetic shielding (or shift) tensors suggested by participants in the NATO ARW on NMR shielding constants at the University of Maryland, College Park, July 1992

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Cited by 336 publications
(157 citation statements)
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“…These correlations have been further confirmed by quantum mechanical ab initio calculations [12]. It has been revealed that the principal value d 22 , but not d 11 and d 33 , of the 31 P chemical shift tensor is very sensitive to the SAPAS bond angle: d 22 increases substantially with an increase in the SAPAS bond angle, while both d 11 and d 33 are almost constant. Generally, the terminal ligands in nickel(II) and zinc(II) dtp complexes have smaller SAPAS angles (95°-97°), and the phosphorus sites in these ligands have values for d 22 % 69-78 ppm, while the larger SAPAS angles (97°-105°) in the bridging ligands correspond to d 22 ( 31 P) % 94-124 ppm.…”
Section: Introductionmentioning
confidence: 53%
“…These correlations have been further confirmed by quantum mechanical ab initio calculations [12]. It has been revealed that the principal value d 22 , but not d 11 and d 33 , of the 31 P chemical shift tensor is very sensitive to the SAPAS bond angle: d 22 increases substantially with an increase in the SAPAS bond angle, while both d 11 and d 33 are almost constant. Generally, the terminal ligands in nickel(II) and zinc(II) dtp complexes have smaller SAPAS angles (95°-97°), and the phosphorus sites in these ligands have values for d 22 % 69-78 ppm, while the larger SAPAS angles (97°-105°) in the bridging ligands correspond to d 22 ( 31 P) % 94-124 ppm.…”
Section: Introductionmentioning
confidence: 53%
“…The principal components of the carbon CS tensors are reported relative to TMS such that δ 11 ≥ δ 22 ≥ δ 33 , the latter component being along the direction of greatest shielding. The CS tensors are described by the span = δ 11 −δ 33 , the skew κ = 3(δ 22 −δ iso )/ , and the isotropic chemical shift δ iso = (δ 11 + δ 22 + δ 33 )/3 [24].…”
Section: Methodsmentioning
confidence: 99%
“…The CSA tensor is characterised by d iso (proportional to its trace) and by the parameter span (O) and skew (k), defined as: 13 O ¼ d 11 À d 33 ;…”
Section: Nmr Interactionsmentioning
confidence: 99%
“…In the case of the chemical shielding anisotropy (CSA) tensor, a number of different conventions are in common use. [11][12][13][14] In one of the currently most used notations, 13 the principal components of the CSA tensor are labelled and ordered as d 11 !d 22 !d 33 ; the isotropic chemical shift (d iso ) is then given by:…”
Section: Nmr Interactionsmentioning
confidence: 99%