Study of sup 31 P NMR chemical shift tensors and their correlation to molecular structure
- Lawrence Berkeley Lab., CA (USA)
The nature of the {sup 31}P anisotropic chemical shift interaction is examined by using magic-angle sample spinning NMR. Linear correlations between the principal values of the {sup 31}P chemical shift tensor, P-O bond lengths, and O-O-O bond angles are established. On the basis of a previously established correlation between P-O bond length and d{sub P}-p{sub O} {pi}-bond order. Furthermore, from correlations between bond lengths and bond angles, it was concluded that for the phosphates reported in this study the {pi}- and {sigma}-bond contributions to the {sup 31}P chemical shift interaction are not independent of each other and, hence, cannot be separated into distinct terms. A review of other phosphoryl derivatives suggests that these observations may be general for other quadruply coordinated phosphorus compounds.
- DOE Contract Number:
- AC03-76SF00098
- OSTI ID:
- 6836097
- Journal Information:
- Journal of the American Chemical Society; (USA), Vol. 111:14; ISSN 0002-7863
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
PHOSPHORUS 31
NUCLEAR MAGNETIC RESONANCE
CHEMICAL SHIFT
DATA ANALYSIS
EXPERIMENTAL DATA
MEASURING INSTRUMENTS
MEASURING METHODS
MOLECULAR STRUCTURE
DATA
INFORMATION
ISOTOPES
LIGHT NUCLEI
MAGNETIC RESONANCE
NUCLEI
NUMERICAL DATA
ODD-EVEN NUCLEI
PHOSPHORUS ISOTOPES
RESONANCE
STABLE ISOTOPES
400000* - Chemistry
400100 - Analytical & Separations Chemistry
400200 - Inorganic
Organic
& Physical Chemistry