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JCC
2007

The role of radial nodes of atomic orbitals for chemical bonding and the periodic table

10 years 4 months ago
The role of radial nodes of atomic orbitals for chemical bonding and the periodic table
: The role of radial nodes, or of their absence, in valence orbitals for chemical bonding and periodic trends is discussed from a unified viewpoint. In particular, we emphasize the special role of the absence of a radial node whenever a shell with angular quantum number l is occupied for the first time (lack of ‘‘primogenic repulsion’’), as with the 1s, 2p, 3d, and 4f shells. Although the consequences of the very compact 2p shell (e.g. good isovalent hybridization, multiple bonding, high electronegativity, lone-pair repulsion, octet rule) are relatively well known, it seems that some of the aspects of the very compact 3d shell in transition-metal chemistry are less well appreciated, e.g., the often weakened and stretched bonds at equilibrium structure, the frequently colored complexes, and the importance of nondynamical electron-correlation effects in bonding. q 2006 Wiley Periodicals, Inc. J Comput Chem 28: 320–325, 2006 Key words: chemical bonding; electronegativity; nond...
Martin Kaupp
Added 15 Dec 2010
Updated 15 Dec 2010
Type Journal
Year 2007
Where JCC
Authors Martin Kaupp
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