CALCULATION OF 31P NMR CHEMICAL SHIFTS FOR BIOACTIVE ORGANOPHOSPHORUS COMPOUNDS

Chinese Journal of Magnetic Resonance ›› 1995, Vol. 12 ›› Issue (3): 283-292,324.

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CALCULATION OF ³¹P NMR CHEMICAL SHIFTS FOR BIOACTIVE ORGANOPHOSPHORUS COMPOUNDS

Lu Mowen, Hu Wenxiang

Institute of Pbarmacology and Toxicology, Academy of Military Medical Sciences, Beijing 100850

Received:1994-07-30 Revised:1994-10-25 Published:1995-06-05 Online:2018-01-17

Abstract

Abstract: ³¹P NMR chemical shifts for all classes of 106 acyclic tetracoordinate organophosphorus esters have been calculated in this paper by an unified equation.The results showed that the unified equation has wider application than other formula of calculating chemical shifts.The spherical symmetry of the electron cloud around the nucleus is a primary factor affecting ³¹P NMR chemical shifts.

Key words: Unified formula, ³¹P NMR, Calculation of chemical shifts, Acyclic organophosphorus esters

Lu Mowen, Hu Wenxiang. CALCULATION OF ³¹P NMR CHEMICAL SHIFTS FOR BIOACTIVE ORGANOPHOSPHORUS COMPOUNDS[J]. Chinese Journal of Magnetic Resonance, 1995, 12(3): 283-292,324.

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CALCULATION OF ³¹P NMR CHEMICAL SHIFTS FOR BIOACTIVE ORGANOPHOSPHORUS COMPOUNDS

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