Remarkably wide range of bond distance adjustment of d9-d 9 Pd-Pd interactions to change in coordination environment

Journal of the American Chemical Society

Volumn 120, Issue 18, 1998, Pages 4536-4537

  Murahashi, Tetsuro ^a   Otani, Toshiaki ^a   Mochizuki, Eiko ^a   Kai, Yasushi ^a   Kurosawa, Hideo ^a   Sakaki, Shigeyoshi ^b  

^a OSAKA UNIVERSITY   (Japan)

^b KUMAMOTO UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000740243     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja972206e     Document Type: Letter

References (36)

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12. 2: C, 46.54 (46.30); H, 3.73 (3.79).
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14. w = 0.062.
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21. I bond energy was theoretically estimated to be considerably large with the metalmetal length well reproduced within the experimental value.
22. 12d and (4s)/[2s] were used for C and H, respectively,
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26. The superscripts "a" and "b" mean antibonding and bonding, respectively.
27. π orbitais of terminal C atoms contribute more to the diene HOMO than those of internal C atoms.
28. 2+ by 1.2 eV. Beyond the minimum, point, several occupied orbitais including back-donation orbital started to rise in energy.
29. 2 structures.
30. 17c
31. (b) Murahashi, T.; Otoni, T.; Kurosawa, H., unpublished result,
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33. 3 and diene termini in 1 are less than those in. 2.
34. w = 0.042.
35. Allegra, G.; Casagrande, G. T.; Immirzi, A.; Porri, L.; Vitulli, G. J. Am. Chem. Soc. 1970, 92, 289.
36. To our knowledge, 2 is the first example in which the metal-metal bond is sandwiched between, two s-trans- 1,3-diene ligands.