Advertisement

Approximate expressions and the relationship between pyramidalization (out-of-plane deformation) characteristics of trigonal centers

Authors

  • Sergey P. Gavrish

    Corresponding author
    1. L.V. Pisarzhevskii Institute of Physical Chemistry, National Academy of Sciences of Ukraine, Prospekt Nauki 31, 03028, Kiev-28, Ukraine
    • L.V. Pisarzhevskii Institute of Physical Chemistry, National Academy of Sciences of Ukraine, Prospekt Nauki 31, 03028, Kiev-28, Ukraine
    Search for more papers by this author

Abstract

Fairly accurate approximate expressions for commonly used characteristics of non-planarity of trigonal sp2-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. © 2012 Wiley Periodicals, Inc.

Ancillary