메뉴 건너뛰기




Volumn 692, Issue 15, 2007, Pages 3167-3173

Spin density distribution in mononuclear Rh(0) complexes: A combined experimental and DFT study

Author keywords

Amine complexes; DFT calculations; EPR spectroscopy; Olefin complexes; Redox chemistry; Rhodium

Indexed keywords

COMPLEXATION; DENSITY FUNCTIONAL THEORY; ELECTRON SPIN RESONANCE SPECTROSCOPY; HYDROCARBONS; LIGANDS; SPIN DYNAMICS;

EID: 34250155663     PISSN: 0022328X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jorganchem.2007.01.041     Document Type: Article
Times cited : (15)

References (61)
  • 4
    • 4243489783 scopus 로고
    • A complete reference list cannot be given here, for selected literature see and references cited therein:
    • A complete reference list cannot be given here, for selected literature see and references cited therein:. Olson D.C., and Keim W. Inorg. Chem. 9 (1969) 2028
    • (1969) Inorg. Chem. , vol.9 , pp. 2028
    • Olson, D.C.1    Keim, W.2
  • 19
    • 0041783485 scopus 로고    scopus 로고
    • Chanon M. (Ed), Wiley, New York
    • Amouyal E. In: Chanon M. (Ed). Homogeneous Photocatalysis vol. 2 (1997), Wiley, New York 264
    • (1997) Homogeneous Photocatalysis , vol.2 , pp. 264
    • Amouyal, E.1
  • 27
    • 34250160025 scopus 로고    scopus 로고
    • D.G.H. Hetterscheid, M. Klop, R.J.N.A.M. Kicken, J.M.M. Smits, E.J. Reijerse, B. de Bruin, Chem. Eur. J. (in press).
  • 38
    • 34250216544 scopus 로고    scopus 로고
    • D.G.H. Hetterscheid, A.J.J. Koekkoek, H. Grützmacher, Bas de Bruin, Prog. Inorg. Chem. 55 (in press).
  • 39
    • 0346212530 scopus 로고    scopus 로고
    • B.A. Goodman, J.B. Raynor, Electron spin resonance of transition metal complexes, in: H.J. Emeléus, A.G. Sharpe (Eds.), Advances in Inorganic Chemistry and Radiochemistry, vol. 13, 1970, p. 136.
  • 40
    • 34250215470 scopus 로고    scopus 로고
    • note
    • The unequal distribution of electron density over the two benzo groups of each tropNH moiety of the ligand is also observed in the energetically lower lying orbitals which are involved in the metal to ligand backbonding (for details see the Supporting Information).
  • 44
    • 34250216905 scopus 로고    scopus 로고
    • Turbomole basisset library, Turbomole Version 5, see a.
  • 48
    • 34250217620 scopus 로고    scopus 로고
    • PQS version 2.4, 2001, Parallel Quantum Solutions, Fayetteville, Arkansas, USA (the Baker optimizer is available separately from PQS upon request).
  • 55
    • 34250198844 scopus 로고    scopus 로고
    • All calculations were performed using the Turbomole functional "b3-lyp", which is not identical to the Gaussian "B3LYP" functional.
  • 56
    • 0001368303 scopus 로고    scopus 로고
    • Lead reference for calculation of g-tensor (Zeeman interactions) parameters:
    • Lead reference for calculation of g-tensor (Zeeman interactions) parameters:. van Lenthe E., van der Avoird A., and S Wormer P.E. J. Chem. Phys. 107 (1997) 2488
    • (1997) J. Chem. Phys. , vol.107 , pp. 2488
    • van Lenthe, E.1    van der Avoird, A.2    S Wormer, P.E.3
  • 57
    • 0000092151 scopus 로고    scopus 로고
    • Lead reference for calculation of A-tensor (Nuclear magnetic dipole hyperfine interactions) parameters:
    • Lead reference for calculation of A-tensor (Nuclear magnetic dipole hyperfine interactions) parameters:. van Lenthe E., van der Avoird A., and Wormer P.E.S. J. Chem. Phys. 108 (1998) 4783
    • (1998) J. Chem. Phys. , vol.108 , pp. 4783
    • van Lenthe, E.1    van der Avoird, A.2    Wormer, P.E.S.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.