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Volumn 71, Issue 1, 1998, Pages 73-78

The Stability of Seven-Coordinate Species of Earlier Members in the First Transition Seriest: Heptahydrated Ti(II), V(II), Cr(II), and Mn(II) Ions Relevant to Intermediate and Transition State in Water-Exchange Reaction

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EID: 0001784731     PISSN: 00092673     EISSN: None     Source Type: Journal    
DOI: 10.1246/bcsj.71.73     Document Type: Article
Times cited : (13)

References (26)
  • 11
    • 1542641179 scopus 로고    scopus 로고
    • note
    • 1 in the optimized structures were 80.9 (80.4), 142.5 (143.3), and 81.6 (81.2) for titanium(II), 86.2 (86.1), 146.4 (146.9), and 85.4 (85.6) for vanadium(II), and 75.8 (76.2), 142.9 (143.3), and 82.9 (82.2) for manganese(II), respectively. The difference in bond length is from 0.04 to 0.07 Å, the difference in bond angle is less than 1°, and the difference in dihedral angle is less than 3°. The dynamical correlation estimated by the MP2 calculation has no significant effect on the pentagonal bipyramid with the distorted equatorial plane as described in the text (vide infra).


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