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Synthetic, Thermochemical, and Catalytic Studies of Fluorinated Tertiary Phosphine Ligands R 2 PR f [R = Cy, Ph, i Pr; R f = CH‘ 2 CH 2 (CF 2 ) 5 CF 3 ] in Rhodium Systems

✍ Scribed by Smith, Dale C.; Stevens, Edwin D.; Nolan, Steven P.


Book ID
126395961
Publisher
American Chemical Society
Year
1999
Tongue
English
Weight
69 KB
Volume
38
Category
Article
ISSN
0020-1669

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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