SOLVENT EFFECT ON SOLVOLYTIC REACTIVITIES OF 1-ARYL-2,2-DIMETHYL-1-PROPYL TOSYLATES CONTAINING ORTHO-METHYL GROUPS - INCONSISTENCY BETWEEN THEORETICAL CALCULATIONS AND EXPERIMENTAL RESULTS

Please use this identifier to cite or link to this item: http://ir.lib.ncu.edu.tw/handle/987654321/28446

Title:	SOLVENT EFFECT ON SOLVOLYTIC REACTIVITIES OF 1-ARYL-2,2-DIMETHYL-1-PROPYL TOSYLATES CONTAINING ORTHO-METHYL GROUPS - INCONSISTENCY BETWEEN THEORETICAL CALCULATIONS AND EXPERIMENTAL RESULTS
Authors:	LIU,KT;TANG,CS;CHIN,CP
Contributors:	中央大學
Keywords:	RATES
Date:	1994
Issue Date:	2010-06-29 19:49:01 (UTC+8)
Publisher:	化學研究所
Abstract:	Solvolyses of tosylates IIB and IIC in a variety of solvents were found to give excellent linear log k - Y(BnOTs) plots (R = 0.997 and SD = 0.022) and negative DELTAS(not-equal) for IIB, but slight deviations (R = 0.987 and SD = 0.047) from lineation and positive DELTAS(not-equal) for several cases for IIC. Limiting S(N)1 mechanisms with steric hindrance to resonance and solvent intervention at the cationic transition state could thus be confirmed. The inconsistency between theoretical and observed trend of DELTAH(not-equal) is attributed to the neglect of solvent effect in MO calculations. Deductions linking theoretical calculation and solvolytic experiments should be drawn with caution.
Relation:	JOURNAL OF THE CHINESE CHEMICAL SOCIETY
Appears in Collections:	[Graduate Institute of Chemistry] journal & Dissertation

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