METHYLLENCYCLOBUTANE: RING PUCKERING POTENTIAL FUNCTION FROM MID-INFRARED COMBINATION BANDS.

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1969

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Ohio State University

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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(x4+bx2), 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±10cm−1) is in good agreement with that determined by other workers from the vibrational dependence of the rotational constants in the microwave spectrum (160±50cm−1).2

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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

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