The first η2-CH2Cl2 adduct of Ru(II):[RuH(η2-CH2Cl2)(CO)(P(t)Bu2Me)2][BAr'4] (Ar' = 3,5-C6H3(CF3)2) and its RuH(CO)(P(t)Bu2Me)2+ precursor

Journal of the American Chemical Society

Volumn 119, Issue 31, 1997, Pages 7398-7399

  Huang, Dejian ^a   Huffman, John C ^a   Bollinger, John C ^a   Eisenstein, Odile ^a   Caulton, Kenneth G ^a  

^a NONE

Author keywords

[No Author keywords available]

Indexed keywords

RUTHENIUM COMPLEX;

ARTICLE; CRYSTAL STRUCTURE; DRUG STRUCTURE; DRUG SYNTHESIS; IN VITRO STUDY; X RAY CRYSTALLOGRAPHY;

EID: 0030790904     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja970240n     Document Type: Article

References (23)

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3. Lambert, J. B.; Zhang, S.; Stern, C. L.; Huffman, J. C. Science 1993, 260, 1917. Cacare, F.; Attina, M.; Fomarini, S. Angew. Chem., Int. Ed. Engl. 1995, 34, 654.
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14. -1.
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16. -1): v(CO) = 1951.
17. 2 axis passes through Ru and B; consequently, the hydride and CO ligands are disordered.
18. 13
19. 3) locations with C-H = 0.96 Å and a staggered rotational conformation; distances involving these hydrogens are thus unreliable.
20. 3 are calculated with a minima basis set. Optimization was carried out at the DFT (B3LYP) level. Gaussian 94. Revision D. I.: Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Gill, P. M. W.; Johnson, B. G.; Robb, M. A.; Cheeseman, J. R.; Keith, T.; Peterson, G. A.; Montgomery, J. A.; Raghavachari, K.; Al-Laham, M. A.; Zakrzewski, V. G.; Ortiz, J. V.; Foresman, J. B.; Cioslowski, J.; Stefanov, B. B.; Nanayakkara, A.; Challacombe, M.; Peng, C. Y.; Ayala, P. Y.; Chen, W.; Wong, M. W.; Andres, J. L.; Replogle, E. S.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Binkley, J. S.; Defrees, D. J.; Baker, J.; Stewart, J. P.; Head-Gordon, M.; Gonzalez, C.; Pople, J. A. Gaussian, Inc.: Pittsburgh, PA, 1995.
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