FROM LEAVING GROUP KINETIC ISOTOPE EFFECTS AND HIGH RESOLUTION VIBRATIONAL MEASUREMENTS

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Title: FROM LEAVING GROUP KINETIC ISOTOPE EFFECTS AND HIGH RESOLUTION VIBRATIONAL MEASUREMENTS
Creators: Jullian, Robert; Coffey, Patrick
Issue Date: 1976
Publisher: Ohio State University
Abstract: Experimental kinetic isotope effects (KIE) have shown great utility as a probe for reaction mechanisms. Comparison of theoretical KIE calculated for a given transition state model with experimental KIE values at several temperatures has proved useful in the evaluation of various proposed transition state models. Theoretical KIE calculations require all ground state normal mode vibrational frequencies and their associated isotopic splitting may be on the order of $0.1 cm^{-1}$. High resolution FT-IR has proved to be an excellent measurement technique. Transition state information obtained by experimental and theoretical leaving group KIE are presented for the $S_{N2}$ reaction of benzyl chloride with thiophenol anion.
Description: Author Institution: University of Wisconsin; Nicolet Instrument Corporation
URI: http://hdl.handle.net/1811/9775
Other Identifiers: 1976-Sigma-M-30
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