Quantum-mechanical calculations boron bonding

Although it provides a rough rationalization of the dimensionality of the B/C sublattice in the MxByCz phases, the calculation of VEC is not sufficient to frilly understand the local environment of the boron and carbon atoms. Various theoretical analyses using quantum-mechanics calculations have been carried out, especially in my laboratory,2 in order to obtain a deeper insight into the bonding encountered in these compounds. Results were interpreted in a somewhat personal way from a molecular... 

The Tetrahedral Carbon Atom.—We have thus derived the result that an atom in which only s and p eigenfunctions contribute to bond formation and in which the quantization in polar coordinates is broken can form one, two, three, or four equivalent bonds, which are directed toward the corners of a regular tetrahedron (Fig. 4). This calculation provides the quantum mechanical justification of the chemist s tetrahedral carbon atom, present in diamond and all aliphatic carbon compounds, and for the tetrahedral quadrivalent nitrogen atom, the tetrahedral phosphorus atom, as in phosphonium compounds, the tetrahedral boron atom in B2H6 (involving single-electron bonds), and many other such atoms. 

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