title: Synthesis and structure of two new (guanidinate)boron dichlorides and their attempted conversion to boron(I) derivatives.
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:] (), 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) () and [Ph(2)NC{N(Dipp)(2)]BCl(2) () have been prepared and characterized by single-crystal X-ray diffraction. Attempts to reduce and to the corresponding boron(i) species were not successful.
authors.affiliation: Department of Chemistry and Biochemistry, The University of Texas at Austin, 1 University Station A5300, Austin, TX 78712, USA.
authors.forename: Michael
authors.initials: M
authors.lastname: Findlater
authors.forename: Nicholas J
authors.initials: NJ
authors.lastname: Hill
authors.forename: Alan H
authors.initials: AH
authors.lastname: Cowley