Intramolecular Communication in Anionic Oxidized Phosphanes through a Chelated Proton.
Oxidation of the 1,2-(PR2 )2 -1,2-closo-C2 B10 H10 (R=Ph, iPr) platform with hydrogen peroxide in acetone is a two-step procedure in which partial deboronation of the closo cluster and oxidation of the phosphorus atoms occur. Based on NMR spectroscopic and kinetic data, we demonstrate that the phosphorus atoms are oxidized in the first step, followed by cluster deboronation. DFT calculations and natural-bond orbital (NBO) analysis were used to obtain insight into the electronic structures of diphosphane ortho-carborane derivatives.
Institut de Ciència de Materials de Barcelona, Campus U.A.B., 08193 Bellaterra (Spain), Fax: (+34) 93-580-57-29.
A R
AR
Popescu
Institut de Ciència de Materials de Barcelona, Campus U.A.B., 08193 Bellaterra (Spain), Fax: (+34) 93-580-57-29.
I
I
Rojo
Institut de Ciència de Materials de Barcelona, Campus U.A.B., 08193 Bellaterra (Spain), Fax: (+34) 93-580-57-29.
F
F
Teixidor
Department of Chemistry, University of Jyväskylä, 40014, Jyväskylä (Finland).
R
R
Sillanpää
Institut de Ciència de Materials de Barcelona, Campus U.A.B., 08193 Bellaterra (Spain), Fax: (+34) 93-580-57-29. clara@icmab.es.
C
C
Viñas
carboranes; carboranylphosphanes; hydrogen bonds; oxidation; phosphorus