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Volumn 42, Issue 22, 2003, Pages 7207-7218

Comparison of M-S, M-O, and M-(η2-SO) Structures and Bond Dissociation Energies in d6 (CO)5M(SO2) nq Complexes Using Density Functional Theory

Author keywords

[No Author keywords available]

Indexed keywords

CARBONYL DERIVATIVE; CHROMIUM; HAFNIUM; IRON; MANGANESE; METAL COMPLEX; OSMIUM; RHENIUM; SULFUR DIOXIDE; TANTALUM; TITANIUM; TUNGSTEN; VANADIUM;

EID: 0242290381     PISSN: 00201669     EISSN: None     Source Type: Journal    
DOI: 10.1021/ic030179p     Document Type: Article
Times cited : (9)

References (42)
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    • 2 with gas-phase transition metal atoms, and with solid surfaces. For the former, see: (a) McClean, R. E. J. Phys. Chem. A 2000, 104, 8723-8729.
    • (2000) J. Phys. Chem. A , vol.104 , pp. 8723-8729
    • McClean, R.E.1
  • 6
    • 0242272114 scopus 로고    scopus 로고
    • and references therein
    • (b) McClean, R. E. J. Phys. Chem. A 1999, 103, 75-79 and references therein.
    • (1999) J. Phys. Chem. A , vol.103 , pp. 75-79
    • McClean, R.E.1
  • 15
    • 0242303868 scopus 로고    scopus 로고
    • Division of Theoretical Chemistry, Vrije Universiteit: Amsterdam, The Netherlands
    • Amsterdam Density Functional program, version 2002.03; Division of Theoretical Chemistry, Vrije Universiteit: Amsterdam, The Netherlands; http://www.scm.com.2002.
    • Amsterdam Density Functional Program, Version 2002.03
  • 18
    • 0004124784 scopus 로고
    • te Riele, H. J. J., Dekker, T. J., van de Horst, H. A., Eds.; Elsevier: Amsterdam, The Netherlands
    • Ravenek, W. In Algorithms and Applications on Vector and Parallel Computers; te Riele, H. J. J., Dekker, T. J., van de Horst, H. A., Eds.; Elsevier: Amsterdam, The Netherlands, 1987.
    • (1987) Algorithms and Applications on Vector and Parallel Computers
    • Ravenek, W.1
  • 25
    • 0242366916 scopus 로고    scopus 로고
    • note
    • A reviewer asked for justification for not using diffuse functions for calculations involving anions. Diffuse functions unfortunately are not generally available in ADF basis sets.
  • 26
    • 0242272111 scopus 로고    scopus 로고
    • 6, available from http://www.scm.com.
    • 6
  • 27
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    • note
    • 2 ligand.
  • 28
    • 0242272117 scopus 로고    scopus 로고
    • note
    • 2 isomer.
  • 31
    • 0242272116 scopus 로고    scopus 로고
    • note
    • The number in parentheses is the standard deviation of the measurements from the mean.
  • 38
    • 0001312501 scopus 로고
    • and references therein
    • (a) Ziegler, T. Can. J. Chem. 1995, 73, 743-761 and references therein.
    • (1995) Can. J. Chem. , vol.73 , pp. 743-761
    • Ziegler, T.1
  • 39
    • 0344791553 scopus 로고
    • and references therein
    • (b) Ziegler, T. Chem. Rev. 1991, 91, 651-667 and references therein.
    • (1991) Chem. Rev. , vol.91 , pp. 651-667
    • Ziegler, T.1
  • 40
    • 0000123549 scopus 로고
    • Salahub, D. R., Russo, N., Eds.; Kluwer: The Netherlands
    • Ziegler has given a cogent explanation of how relativity strengthens metal-ligand bonds through back-donation to the ligand. See ref 32a and see: Ziegler, T. In Metal-Ligand Interactions: from Atoms to Clusters to Surfaces; Salahub, D. R., Russo, N., Eds.; Kluwer: The Netherlands, 1992, 367-396.
    • (1992) Metal-Ligand Interactions: From Atoms to Clusters to Surfaces , pp. 367-396
    • Ziegler, T.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.