Electronic character of methylenecyclopropene: microwave spectrum, structure, and dipole moment

…, SW Staley, WH Taylor, MD Harmony

Index: Norden, Timothy D.; Staley, Stuart W.; Taylor, William H.; Harmony, Marlin D. Journal of the American Chemical Society, 1986 , vol. 108, # 25 p. 7912 - 7918

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Citation Number: 67

Abstract

Abstract: The electric dipole moment (p= 1.90 i 0.02 D) and the heavy-atom molecular structure (r (C, C2)= 1.323 A, r (CIC3)= 1.441 A, and r (C, C4)= 1.332 A) have been determined for methylenecyclopropene (1) by microwave spectroscopy. In addition, the C, or D3,, geometry-optimized ab initio molecular structures for cyclopropane, cyclopropene, methylenecyclopropane, 1, and the cyclopropenium cation have been calculated at ...