Bonding Elucidation of the Three Common Acids H2SO4, HNO3, and HClO4

作者：Kalemos Apostolos; Mavridis Aristides^*

来源：Journal of Physical Chemistry A, 2009, 113(50): 13972-13975.

DOI：10.1021/jp906294d

The bonding nature of the non-hydroxyl oxygen atoms of the familiar acids sulfuric [(OH)(2)SO2], nitirc (HONO2), and perchloric (HOClO3) is explained without Using Such ad hoc concepts of circular logic like "hypervalency". It is proposed here for the first lime and confirmed through the help of coupled-cluster RCCSD(T) calculations, that the S(-O)(2), N(-O)(2), and Cl(-O)(3) bonding Occurs by transfer of the electron Pair densities of the central atoms, S, N, and Cl to the first excited state, D-1, of the non-hydroxyl O atoms.

• 出版日期2009-12-17