Atom-bond transition: transferability of atomic length scales

Ganguly, P. (2000) Atom-bond transition: transferability of atomic length scales Journal of Physical Chemistry A, 104 (39). pp. 8432-8444. ISSN 1089-5639

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The expression of equilibrium single-bond interatomic distance, dM-X, of any M-X bond (homonuclear or heteronuclear, ionic, covalent, or metallic) (Ganguly, J. Am. Chem. Soc. 1995, 117, 2655) in terms of core-atomic lengths is examined in terms of the constraints of an atom-bond transition. These include the following: (i) a description of bonding components of the hydrogen molecule that are applicable to all bonds; (ii) the use of a universal equilibrium chemical potential, μuniv = 0; (iii) spin-charge conversion and a justification for the choice of valence s electron orbital radius as the core length; (iv) an examination of the atom-bond transition in terms of Thomas-Fermi screening models applied to the insulator-metal transition; (v) bond lengths and direction of polarity; (vi) bond energy of the hydrogen molecule and the maximum excitonic binding energy as the limiting values of the standard heats of formation per X atom in MXn compound in gas and solid phase. The importance of valence s electron orbital radius, rs, as a relevant core atomic length in atom-bond transition and in determining ionicity is indicated.

Item Type:Article
Source:Copyright of this article belongs to American Chemical Society.
ID Code:13818
Deposited On:12 Nov 2010 14:40
Last Modified:31 May 2011 09:35

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