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Volumn 127, Issue 11, 2005, Pages 3652-3653

Solid-state NMR Fermi contact and dipolar shifts in organometallic complexes and metalloporphyrins

Author keywords

[No Author keywords available]

Indexed keywords

METAL COMPLEX; METALLOPORPHYRIN; ORGANOMETALLIC COMPOUND;

EID: 15744396815     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja043461j     Document Type: Article
Times cited : (54)

References (22)
  • 1
    • 0003727985 scopus 로고
    • La Mar, G. N., Horrocks, W. D., Jr., Holm, R. H., Eds.; Academic Press: New York
    • (a) La Mar, G. N. In NMR of Paramagnetic Molecules, Principles and Applications; La Mar, G. N., Horrocks, W. D., Jr., Holm, R. H., Eds.; Academic Press: New York, 1973; pp 86-127.
    • (1973) NMR of Paramagnetic Molecules, Principles and Applications , pp. 86-127
    • La Mar, G.N.1
  • 2
    • 0002724520 scopus 로고    scopus 로고
    • Kadish, K. M., Smith, K. M., Guilard, R., Eds.; Academic Press: San Diego, CA
    • (b) Walker, F. A. In The Porphyrin Handbook; Kadish, K. M., Smith, K. M., Guilard, R., Eds.; Academic Press: San Diego, CA, 2000; Vol. 5, pp 81-184.
    • (2000) The Porphyrin Handbook , vol.5 , pp. 81-184
    • Walker, F.A.1
  • 13
    • 0005867244 scopus 로고    scopus 로고
    • Wachters' basis (62111111/3311111/3111) for Cu and V. Wachters, A. J. H. J. Chem. Phys. 1970, 52, 1033-1036. Basis sets were obtained from the EMSL Gaussian Basis Set Order Form Web page, http://www.emsl.pnl.gov/forms/basisform. html. The DGDZVP basis for Ag, 6-311G* for other heavy atoms, and 6-31G* for hydrogen atoms are from Gaussian 03: Frisch, M. J., et al. Gaussian 03, revision B.03; Gaussian, Inc.: Pittsburgh, PA, 2003.
    • (1970) J. Chem. Phys. , vol.52 , pp. 1033-1036
    • Wachters, A.J.H.1
  • 14
    • 0005867244 scopus 로고    scopus 로고
    • Wachters' basis (62111111/3311111/3111) for Cu and V. Wachters, A. J. H. J. Chem. Phys. 1970, 52, 1033-1036. Basis sets were obtained from the EMSL Gaussian Basis Set Order Form Web page, http://www.emsl.pnl.gov/forms/basisform. html. The DGDZVP basis for Ag, 6-311G* for other heavy atoms, and 6-31G* for hydrogen atoms are from Gaussian 03: Frisch, M. J., et al. Gaussian 03, revision B.03; Gaussian, Inc.: Pittsburgh, PA, 2003.
  • 15
    • 0005867244 scopus 로고    scopus 로고
    • Gaussian, Inc.: Pittsburgh, PA
    • Wachters' basis (62111111/3311111/3111) for Cu and V. Wachters, A. J. H. J. Chem. Phys. 1970, 52, 1033-1036. Basis sets were obtained from the EMSL Gaussian Basis Set Order Form Web page, http://www.emsl.pnl.gov/forms/basisform. html. The DGDZVP basis for Ag, 6-311G* for other heavy atoms, and 6-31G* for hydrogen atoms are from Gaussian 03: Frisch, M. J., et al. Gaussian 03, revision B.03; Gaussian, Inc.: Pittsburgh, PA, 2003.
    • Gaussian 03, Revision B.03
    • Frisch, M.J.1
  • 20
    • 0004150157 scopus 로고    scopus 로고
    • Bruker AXS: Madison, WI
    • SHELXTL, version 5.1; Bruker AXS: Madison, WI, 1998.
    • (1998) SHELXTL, Version 5.1
  • 21
    • 15744368487 scopus 로고    scopus 로고
    • note
    • 2O) of the Cu-9 cluster were treated with the large basis set (see ref 11). The Cu-9 cluster includes 14 hydrogen bond partners to the central unit: a 3-21G* basis was used for the noncentral-unit atoms due to limited computational resources. This Cu-9 cluster has 1628 basis functions. For more details, see the Supporting Information.
  • 22
    • 0003420012 scopus 로고    scopus 로고
    • Grant, D. M., Harris, R. K., Eds.; Wiley & Sons: Chichester, U.K.
    • Harris, R. K. In Encyclopedia of Nuclear Magnetic Resonance; Grant, D. M., Harris, R. K., Eds.; Wiley & Sons: Chichester, U.K., 1996; Vol. 5.
    • (1996) Encyclopedia of Nuclear Magnetic Resonance , vol.5
    • Harris, R.K.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.