Approximate expressions and the relationship between pyramidalization (out-of-plane deformation) characteristics of trigonal centers.
Fairly accurate approximate expressions for commonly used characteristics of non-planarity of trigonal sp(2) -hybridized centers are reported. It is shown that the behavior of all these parameters as a function of bond angles (α, β, γ) is determined primarily by the square-root of the difference [360° - (α + β + γ)]. This quantity is proposed as a new versatile measure of pyramidalization.
L.V. Pisarzhevskii Institute of Physical Chemistry, National Academy of Sciences of Ukraine, Prospekt Nauki 31, 03028, Kiev-28, Ukraine. gavrish_sp@ukr.net
Sergey P
SP
Gavrish