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On the Nature of CH⋅⋅⋅FC Interactions in Hindered CF3C(sp3) Bond Rotations

✍ Scribed by Prof. Dr. G. K. Surya Prakash; Fang Wang; Dr. Martin Rahm; Dr. Jingguo Shen; Dr. Chuanfa Ni; Prof. Dr. Ralf Haiges; Prof. Dr. George A. Olah

Publisher
John Wiley and Sons
Year
2011
Tongue
English
Weight
614 KB
Volume
123
Category
Article
ISSN
0044-8249

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## Abstract The bond‐formation processes between the d^10^ metal fragments Ni(PR~3~)~2~ (R = H, CH~3~, F, CF~3~, Ph) and acetylene have been studied by density functional theory with the BP86 functional and large TZV(2df,2pd) basis sets. The Ni–acetylene bonds have been analyzed in terms of distort