Ab Initio Calculations Show How ³¹PNMR Chemical Shifts in PXYZ Phosphines Correlate with Substituent Electronegativity

A. Dransfeld Computational Chemistry Center of the Institute of Organic Chemistry, Erlangen-Nürnberg University, Nägelsbachstraße 25, D-91052, Erlangen Fax:

P. v. R. Schleyer Computational Chemistry Center of the Institute of Organic Chemistry, Erlangen-Nürnberg University, Nägelsbachstraße 25, D-91052, Erlangen Fax:

Reference

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Substituent electronegativity defined by the Allred-Rochow electronegativity of the attached substituent atom
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σcal31P: SOS-MBPT/BIII//RMP2/6-31+G∗∗ with DeMon93© and GAUSSIAN92©
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Ab Initio Calculations Show How ³¹PNMR Chemical Shifts in PXYZ Phosphines Correlate with Substituent Electronegativity

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Ab Initio Calculations Show How 31PNMR Chemical Shifts in PXYZ Phosphines Correlate with Substituent Electronegativity

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Ab Initio Calculations Show How ³¹PNMR Chemical Shifts in PXYZ Phosphines Correlate with Substituent Electronegativity