METHYLLENCYCLOBUTANE: RING PUCKERING POTENTIAL FUNCTION FROM MID-INFRARED COMBINATION BANDS.
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Date
1969
Journal Title
Journal ISSN
Volume Title
Publisher
Ohio State University
Abstract
Close examination of the mid-infrared spectrum of methylencyclobutane has yielded combination bands which involve the ring puckering vibration. These data have been interpreted using a two parameter potential function; $V(x) = a(x^{4}+bx^{2})$, where x is the ring puckering coordinate. The coefficients a and b were determined by an iterative least squares treatment using the computer program of Ueda and $Shimanouchi.^{1}$ The barrier at the planar conformation derived from these data $(165 \pm 10 cm^{-1})$ is in good agreement with that determined by other workers from the vibrational dependence of the rotational constants in the microwave spectrum $(160 \pm 50 cm^{-1}).^{2}$
Description
This research was supported by the Robert A. Welch Foundation. Thomas B. Malloy was an NSF Predoctoral Trainee. $^{1}$ T. Ueda and T. Shimanouchi, J. Chem. Phys., 47, 4941 (1967); 48, 1508 (1968). $^{2}$ LeRoy H. Scharpen and V.W. Laurie, J. Chem. Phys. 49, 3041 (1968).
Author Institution: Department of Chemistry, Texas A\&M University
Author Institution: Department of Chemistry, Texas A\&M University