Electron distribution in a stable carbene

AJ Arduengo III, HVR Dias, DA Dixon…

Index: Arduengo III, Anthony J.; Dias, H. V. Rasika; Dixon, David A.; Harlow, Richard L.; Klooster; Koetzle Journal of the American Chemical Society, 1994 , vol. 116, # 15 p. 6812 - 6822

Full Text: HTML

Citation Number: 201

Abstract

Abstract: The synthesis and characterization of the stable carbene perdeuterio-1, 3, 4.5- tetramethylimidazol-2-ylidene (2) are reported. The neutron and X-ray diffraction data from single crystals of this perdeuterocarbene are used to determine the electron distribution in the molecule. Neutron diffraction data were collected at 80 and 173K on 2. The experimentally determined electron density is very closely matched by density functional ...