Vibrational spectrum, structure, and energy of [1.1. 1] propellane

…, ST Waddell, LS Crocker, M Newton

Index: Wiberg, Kenneth B.; Dailey, William P.; Walker, Frederick H.; Waddell, Sherman T.; Crocker, Louis S.; Newton, Marshall Journal of the American Chemical Society, 1985 , vol. 107, # 25 p. 7247 - 7257

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Citation Number: 100

Abstract

Abstract: The structure of [lll] propellane (bond lengths and angles) was determined from an analysis of the rotational components of the infrared bands of the parent compound and of its d6 derivative, and it was found to be in good agreement with the structure calculated including electron correlation. The central CC bond length was 1.60 f 0.02 8, which is-0.09 A longer than that in cyclopropane. The infrared and Raman spectra were obtained and are ...