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Volumn , Issue 34, 2007, Pages 5319-5322

Transition-metal-free boron-carbon bond activation: Insertion of an NNP fragment into a boron-carbon bond

Author keywords

Azaphosphole; Boranes; Diazadiphosphetidine; Insertion; Lewis acids; X ray elucidation

Indexed keywords

BORON; CARBON; TRANSITION METALS;

EID: 37049000754     PISSN: 14341948     EISSN: 10990682     Source Type: Journal    
DOI: 10.1002/ejic.200700895     Document Type: Article
Times cited : (9)

References (27)
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    • See the Supporting Information: a chemical shifts (31P{ 1H, 31P MAS) and assignment was carried out on the basis of the excellent agreement between theoretically (utilizing the two structures obtained from X-ray elucidation) and experimentally obtained shifts (δ[31P, b) crystal data; c) full description of the experimental data, technique and details; d) computational details [B3LYP/6-31G(d,p, e) summary of the NBO analysis for 3: (i) partial charges, ii) hybridization effects, and (iii) polarization
    • 31P]); b) crystal data; c) full description of the experimental data, technique and details; d) computational details [B3LYP/6-31G(d,p)]; e) summary of the NBO analysis for 3: (i) partial charges, (ii) hybridization effects, and (iii) polarization.
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    • Single-point calculations were computed with a tight conversion criterion by using the program package Gaussian 98; for computational details see the Supporting Information. M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, V. G. Zakrzewski, J. A. Montgomery, Jr, R. E. Stratmann, J. C. Burant, S. Dapprich, J. M. Millam, A. D. Daniels, K. N. Kudin, M. C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G. A. Petersson, P. Y. Ayala, Q. Cui, K. Morokuma, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. Cioslowski, J. V. Ortiz, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham, C. Y. Peng, A. Nanayakkara, C. Gonzalez, M. Challacombe, P. M. W. Gill, B. Johnson, W. Chen, M. W. Wong, J. L. Andres, C. Gonzalez, M. Head-Gordon, E. S. Replogle, J. A. Pople, Gaussian 98 Revision A6, Gauss
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