Abstract
To test the feasibility of the guanidinate architecture for the support of boron(i) carbene analogues the energy gap between the singlet and triplet states of the model compound, [Me 2 NC{N(Ph)} 2 B:] (7), has been probed by both DFT and second order Møller-Plesset (MP2) methods. The singlet state is calculated to be more stable than the triplet state by between 6.0 and 10.1 kcal mol -1 . The new (guanidinate)boron dichlorides [Ph 2 NC{N(Mes) 2 ]BCl 2 (14) and [Ph 2 NC{N(Dipp) 2 ]BCl 2 (15) have been prepared and characterized by single-crystal X-ray diffraction. Attempts to reduce 14 and 15 to the corresponding boron(i) species were not successful. © 2008 The Royal Society of Chemistry.
Original language | English |
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State | Published - Aug 20 2008 |