We found a match
Your institution may have access to this item. Find your institution then sign in to continue.
- Title
Structure and energetics of β-diketonates. XVI. Molecular structure and vibrational spectrum of zinc acetylacetonate according to gas-phase electron diffraction and quantum-chemical calculations.
- Authors
Antina, E. V.; Belova, N. V.; Berezin, M. B.; Girichev, G. V.; Giricheva, N. I.; Zakharov, A. V.; Petrova, A. A.; Shlykov, S. A.
- Abstract
The molecular structure of zinc acetylacetonate was studied in a simultaneous electron diffraction and mass spectrometric experiment at 376(7) K and by quantum-chemical calculations. The Zn(acac)2 molecule has a structure of D2 d symmetry with the chelate rings lying in mutually perpendicular planes. The main geometrical parameters of the molecule are r h1(Zn-O) = 1.942(4) Å, r h1(C-O) = 1.279(3) Å, r h1(C-Cr) = 1.398(3) Å, r h1(C-C m) = 1.504(5) Å, ∠(O-Zn-O) = 93.2(7)°, ∠(Zn-O-C) = 125.9(7)°, ∠(C-Cr-C) = 125.8(14)°, ∠(O-C-C m) = 115.2(9)°. The effective rotation angle of methyl groups is close to 30°, which is indicative of the free rotation of these groups. The vibration frequencies were obtained by quantumchemical calculations, and the IR spectrum of the Zn(acac)2 molecule was interpreted.
- Subjects
MOLECULAR structure; ELECTRON diffraction; ZINC; VIBRATIONAL spectra; METHYL groups
- Publication
Journal of Structural Chemistry, 2009, Vol 50, Issue 6, p1035
- ISSN
0022-4766
- Publication type
Article
- DOI
10.1007/s10947-009-0153-5