Comparative DFT and HF-MP2 study on structure, relative stabilities and rotational barriers of end-on (η1) and side-on (η2) (PH3)2Pd HPPH model complexes
✍ Scribed by N. Russo; M. Toscano; A.L. Rizopoulos; M.P. Sigalas
- Book ID
- 108328669
- Publisher
- Elsevier Science
- Year
- 1998
- Tongue
- English
- Weight
- 354 KB
- Volume
- 273
- Category
- Article
- ISSN
- 0020-1693
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## Abstract Reaction of the side‐on end‐on dinitrogen complex [{(NPN)Ta}~2~(μ‐H)~2~(μ‐η^1^:η^2^‐N~2~)] (1; in which NPN=(PhNSiMe~2~CH~2~)~2~PPh), with the Lewis acids XR~3~ results in the adducts [{(NPN)Ta}~2~(μ‐H)~2~(μ‐η^1^:η^2^‐NNXR~3~)], XR~3~=GaMe~3~ (2), AlMe~3~ (3), and B(C~6~F~5~)~3~ (4). Th
## Abstract The chiral (π‐allyl)Pd(II) complex [Pd(η^3^CH~3~CHCHCH~2~)(__S, S__‐Chiraphos)]CF~3~SO~3~ was shown to exist in four isomeric forms (two diastereomeric and two geometric). Aspects of their three‐dimensional structures were elucidated using ^1^H, ^13^C and ^31^P one‐ and two‐dimensional