Structure-basicity relations among phosphate and phosphite esters. CNDO/2 and protonation studies

LJ Vande Griend, JG Verkade…

Index: Vande Griend,L.J. et al. Journal of the American Chemical Society, 1977 , vol. 99, p. 2459 - 2463

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Citation Number: 44

Abstract

Abstract: Protonation in HFSO; at-50 OC of the phosphite triesters 1"'-5"'revealed a steady increase in'J~ H(826-928 Hz) upon increased constraint of the alkoxy groups. CNDO/2 calculations showed a concomitant rise in the positive charge on phosphorus and the phosphorus-bound hydrogen in the protonated species, but no trend was observed in the P hybridization. A plot of the cube of the sum of these charges vs.'JpH (correlation coefficient ...