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Volumn 20, Issue 20, 2001, Pages 4274-4278

Electronic structure of bispentalene complexes of titanium, zirconium, and hafnium: A photoelectron spectroscopic study

Author keywords

[No Author keywords available]

Indexed keywords

BISPENTALENE COMPLEXES; IONIZATION ENERGIES; PENTALENE LIGANDS;

EID: 0035497136     PISSN: 02767333     EISSN: None     Source Type: Journal    
DOI: 10.1021/om0102403     Document Type: Article
Times cited : (17)

References (30)
  • 19
    • 0011501895 scopus 로고    scopus 로고
    • note
    • RHF/6-311G* calculations for 2a compared to geometrical parameters ob tained by X-ray investigations yielded deviations in Ti-C bond lengths between 0.05 and 0.00 Å, deviations of C-C-C angles between 0° and 2°, and a deviation of the dihedral angle describing ligand folding of 2°. RHF calculations for 2b with the basis set [622211/4221/4111] for Zr and 6-311G* for C and H yielded deviations in Zr-C bond length between 0.06-0.02 Å and deviations of C-C-C angles between 0° and 2°.
  • 20


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.