A “Lithium-Bonded” Cyclopropyl Edge: The X-ray Crystal Structure of [Li-OC (Me)-(c-CHCH2CH2) 2] 6 and Computational Studies

B Goldfuss, PR Schleyer, F Hampel

Index: Goldfuss; Von Rague Schleyer; Hampel Journal of the American Chemical Society, 1996 , vol. 118, # 48 p. 12183 - 12189

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Citation Number: 45

Abstract

The short Li-C distances (Li1-C2= 2.615 (3) Å, Li1-C3= 2.644 (3) Å) in the X-ray crystal structure of [Li-OC (Me)-(c-CHCH2CH2) 2] 6 (7) 6 characterize Li-cyclopropane edge coordinations. The Li-cyclopropane interactions increase the C2-C3 distances (1.519 (3) Å) relative to those of the free cyclopropyl edges (C2-C4= C6-C7= 1.499 (2) Å) by 0.02 Å. The bent bonds of cyclopropane give rise to an electrostatic potential pattern, which strongly ...