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Volumn 54, Issue 2, 1999, Pages 193-199

Solvation structure of solvated Cu(I) ions in non-aqueous solvents as studied by EXAFS and ab initio molecular orbital methods

Author keywords

Ab initio molecular orbital method; Copper(I) ion; EXAFS; Solvation structure

Indexed keywords

BOND LENGTH; CALCULATIONS; ENTHALPY; EXTENDED X RAY ABSORPTION FINE STRUCTURE SPECTROSCOPY; FREE ENERGY; GIBBS FREE ENERGY; IONS; MOLECULAR ORBITALS; ORBITAL CALCULATIONS; SOLVATION; X RAY ABSORPTION;

EID: 0039982271     PISSN: 09320776     EISSN: None     Source Type: Journal    
DOI: 10.1515/znb-1999-0207     Document Type: Article
Times cited : (9)

References (44)
  • 20
    • 85102660465 scopus 로고    scopus 로고
    • note
    • -1 in pure 26DMP, a 1:1 volume mixture of 26DMP and NM was used.
  • 21
    • 0039889011 scopus 로고
    • National Laboratory for High Energy Physics, Tsukuba
    • a) M. Nomura, KEK Report 85-7, National Laboratory for High Energy Physics, Tsukuba, (1985);
    • (1985) KEK Report , vol.85 , Issue.7
    • Nomura, M.1
  • 22
    • 0041076040 scopus 로고
    • National Laboratory for High Energy Physics, Tsukuba
    • b) M. Nomura, A. Koyama, KEK Report 89-16, National Laboratory for High Energy Physics, Tsukuba, (1989).
    • (1989) KEK Report , vol.89 , Issue.16
    • Nomura, M.1    Koyama, A.2
  • 36
    • 0039296957 scopus 로고    scopus 로고
    • note
    • Though the solvation reaction with AN instead of HCN is still more suitable for comparison with the results in AN obtained by EXAFS, HCN as a solvent has been used for simplicity of computation. However, in fact, we have previously demonstrated that there is no difference in the structural and thermodynamic properties of the Ag(I) complexes with HCN and AN [1]. This seems to be the case for the Cu(I) ion also.
  • 41
    • 84890021933 scopus 로고
    • +,G) + E(solvents,G)) > 0, where E is the total energy, "solvents" represents the aggregated solvents keeping an appropriate coordination structure, and "G" means the ghost orbitals
    • +,G) + E(solvents,G)) > 0, where E is the total energy, "solvents" represents the aggregated solvents keeping an appropriate coordination structure, and "G" means the ghost orbitals.
    • (1970) Mol. Phys. , vol.19 , pp. 553
    • Boys, S.F.1    Bernardi, F.2
  • 44
    • 0003673335 scopus 로고
    • D. C. Koningsberger, R. Prins, Ed., Wiley, New York
    • E. A. Stern, X-Ray Absorption, D. C. Koningsberger, R. Prins, Ed., Wiley, New York (1988).
    • (1988) X-ray Absorption
    • Stern, E.A.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.