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Int. J. Mol. Sci. 2005, 6(1), 18-29; doi:10.3390/i6010018
Article

Re-examination of Steric Substituent Constants by Molecular Mechanics

1,2,* , 1, 1 and 1
Received: 1 July 2004 / Revised: 10 September 2004 / Accepted: 12 October 2004 / Published: 31 January 2005
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Abstract

Statistical analysis employing the set of the steric constants Ωj,k(Rc) is shown to be very effective in characterizing the substituent steric effect on organic reactions. Ωj,k(Rc) contains several variable parameters which are useful for the diagnosis of the character of steric effect. The parameters controlling the angular, or directional, weight (j,k) and the size of reaction center atom X(Rc) are varied in order to elucidate the characteristics of several steric substituent constants.
Keywords: Steric effect; Steric hindrance; Molecular mechanics; Steric substituent constant; Es; υ; S; Ω s Steric effect; Steric hindrance; Molecular mechanics; Steric substituent constant; Es; υ; S; Ω s
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Hirota, M.; Sakakibara, K.; Yuzuri, T.; Kuroda, S.-I. Re-examination of Steric Substituent Constants by Molecular Mechanics. Int. J. Mol. Sci. 2005, 6, 18-29.

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