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Volumn 890, Issue 1-3, 2008, Pages 328-338

DFT and time-resolved IR investigation of electron transfer between photogenerated 17- and 19-electron organometallic radicals

Author keywords

19 Electron intermediates; Cage effects; Electron transfer; Metal centered radicals; Step scan FTIR spectroscopy; Transition metal dimers

Indexed keywords

ORGANOMETALLICS; SULFUR COMPOUNDS;

EID: 53949089381     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2008.05.047     Document Type: Article
Times cited : (12)

References (37)
  • 15
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    • 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.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 C.02, Gaussian, Inc., Wallingford, CT, 2004.
  • 23
    • 53949105021 scopus 로고    scopus 로고
    • The bleach intensity increased approximately linearly with the laser intensity, indicating that the laser intensity was not so high as to cause two photon absorption.
    • The bleach intensity increased approximately linearly with the laser intensity, indicating that the laser intensity was not so high as to cause two photon absorption.
  • 24
    • 53949112444 scopus 로고    scopus 로고
    • This number represents an upper limit based on a 1.0 quantum yield and neglecting any recombination of the 17e radicals. For data presented in Figs. 2b and c, a greater portion of the dimer molecules within the sample volume may be consumed. This effect is not included in the yield analysis of the experimental data (see Table 2) but would only increase the discrepancy between the dimer mechanism and experimental data, thus strengthening the arguments made in the section.
    • This number represents an upper limit based on a 1.0 quantum yield and neglecting any recombination of the 17e radicals. For data presented in Figs. 2b and c, a greater portion of the dimer molecules within the sample volume may be consumed. This effect is not included in the yield analysis of the experimental data (see Table 2) but would only increase the discrepancy between the dimer mechanism and experimental data, thus strengthening the arguments made in the section.
  • 37
    • 53949092136 scopus 로고    scopus 로고
    • 3 indicate the W-CO bonds are significantly weakened so CO loss from excitation in the visible region is reasonable.
    • 3 indicate the W-CO bonds are significantly weakened so CO loss from excitation in the visible region is reasonable.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.