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Volumn 112, Issue 32, 2008, Pages 7332-7341

Tuning aryl, hydrazine radical cation electronic interactions using substitutent effects

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION SPECTRA; ELECTRONIC INTERACTIONS; RADICAL CATION; RADICAL CATIONS;

EID: 50549085821     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp7120005     Document Type: Article
Times cited : (23)

References (53)
  • 37
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    • Frisch, M. J.; et. al. Gaussian 98, revision A.9; Gaussian, Inc.: Pittsburgh, PA, 1998.
    • (a) Frisch, M. J.; et. al. Gaussian 98, revision A.9; Gaussian, Inc.: Pittsburgh, PA, 1998.
  • 38
    • 50549086508 scopus 로고    scopus 로고
    • Frisch, M. J.; et. al. Gaussian 03, revision B.05; Gaussian, Inc., Pittsburgh, PA, 2003.
    • (b) Frisch, M. J.; et. al. Gaussian 03, revision B.05; Gaussian, Inc., Pittsburgh, PA, 2003.
  • 47
    • 50549088079 scopus 로고    scopus 로고
    • NBO 5.0. E. D. Glendening, J. K. Badenhoop, A. E. Reed, J. E. Carpenter, J. A. Bohmann, C. M. Morales, and F. Weinhold (Theoretical Chemistry Institute, University of Wisconsin, Madison, WI, 2001).
    • NBO 5.0. E. D. Glendening, J. K. Badenhoop, A. E. Reed, J. E. Carpenter, J. A. Bohmann, C. M. Morales, and F. Weinhold (Theoretical Chemistry Institute, University of Wisconsin, Madison, WI, 2001).
  • 49
    • 50549097061 scopus 로고    scopus 로고
    • Spartan '02, Wavefunction Inc., Irvine, CA.
    • Spartan '02, Wavefunction Inc., Irvine, CA.
  • 51
    • 0141522603 scopus 로고    scopus 로고
    • For discussion in the context of the ethane rotational barrier problem, see
    • For discussion in the context of the ethane rotational barrier problem, see: Weinhold, F. Angew. Chemie Int. Ed. 2003, 42, 4188-4194.
    • (2003) Angew. Chemie Int. Ed , vol.42 , pp. 4188-4194
    • Weinhold, F.1
  • 52
    • 50549100223 scopus 로고    scopus 로고
    • Although there are three R, 1 solutions for 2(OMe, and 2NMe2, and R gets rather close to 1 in the high ΔEL- region for the other compounds, only the smallest ΔEL solutions place the πx orbital energies in the proper relation to the other energies for these compounds
    • x orbital energies in the proper relation to the other energies for these compounds.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.