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6
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67749095988
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T. Amaya S. Seki T. Moriuchi K. Nakamoto T. Nakata H. Sakane A. Saeki S. Tagawa T. Hirao J. Am. Chem. Soc. 2009 131 408
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Amaya, T.1
Seki, S.2
Moriuchi, T.3
Nakamoto, K.4
Nakata, T.5
Sakane, H.6
Saeki, A.7
Tagawa, S.8
Hirao, T.9
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25
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66749131150
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A Gaussian 03 suite of programs was used for the calculations. M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. et al. Gaussian, Inc., Wallingford CT. 2004
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A Gaussian 03 suite of programs was used for the calculations. M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, J. A. Montgomery, Jr., T. Vreven, K. N. Kudin, J. C. Burant, J. M. Millam, S. S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G. A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J. E. Knox, H. P. Hratchian, J. B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, P. Y. Ayala, K. Morokuma, G. A. Voth, P. Salvador, J. J. Dannenberg, V. G. Zakrzewski, S. Dapprich, A. D. Daniels, M. C. Strain, O. Farkas, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. V. Ortiz, Q. Cui, A. G. Baboul, S. Clifford, J. Cioslowski, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham, C. Y. Peng, A. Nanayakkara, M. Challacombe, P. M. W. Gill, B. Johnson, W. Chen, M. W. Wong, C. Gonzalez, J. A. Pople, GAUSSIAN 03, Revision E.01; Gaussian, Inc., Wallingford CT. 2004
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GAUSSIAN 03, Revision E.01
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Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
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26
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0002991047
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To know the intrinsic nature of a trisilasumanene framework, strictly speaking, a compound where each of the silicon atoms has two hydrogen atoms should be investigated. However, it seems rather difficult to prepare this compound and hence in this paper we synthesized alkyl-substituted derivatives, which would have the second most intrinsic nature of a trisilasumanene framework. Indeed, σ*-π* conjugation in compounds 1 and 5 is concluded to be rather small Calculations for solvent effect, based on the gas-phase optimized geometries, were carried out using the polarized continuum model (PCM) and the dielectric constant (ε = 8.93) of dichloromethane. The maximum absorption wavelengths were essentially unchanged. See:
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K. Tamao S. Yamaguchi J. Organomet. Chem. 2000 611 5
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(2000)
J. Organomet. Chem.
, vol.611
, pp. 5
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Tamao, K.1
Yamaguchi, S.2
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