B. Wrackmeyer et al., MOLECULAR-STRUCTURE OF TRI(2-THIENYL)BORANE, Zeitschrift fur Naturforschung. B, A journal of chemical sciences, 51(12), 1996, pp. 1811-1814
The molecular structure of tri(2-thienyl)borane (1) was determined [mo
noclinic, space group P2(1)/c; a = 12.216(2), b = 7.765(2), c = 12.605
(2) Angstrom, beta = 93.13(2)degrees]; two of the three thienyl groups
are disordered, as is also indicated by the solid-state C-13 CP/MAS N
MR spectrum of 1. The C-13 NMR spectra of 1 were measured at variable
temperature in solution and the barrier to rotation about the B-C bond
s was found to be <35 kJ/mol. Thus, CB(pp)pi interactions must be rega
rded as rather weak, in spite of suggestive delta(11)B, delta(13)C dat
a and structural parameters.