D 3 d Ground-State Structure of V(CO) 6 : A Combined Matrix Isolation and ab Initio Study of the Jahn−Teller Effect
✍ Scribed by Bernhardt, Eduard; Willner, Helge; Kornath, Andreas; Breidung, Jürgen; Bühl, Michael; Jonas, Volker; Thiel, Walter
- Book ID
- 126275244
- Publisher
- American Chemical Society
- Year
- 2003
- Tongue
- English
- Weight
- 156 KB
- Volume
- 107
- Category
- Article
- ISSN
- 1089-5639
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
The ab initio electronic structure calculations at the MP2 and the Becke Ž . 3LYP density functional levels in conjunction with the 6-311qqG 2 df, 2 pd basis set were used for the determination of the structure, vibrational spectra, and dissociation 2q 2q Ž . energies of the XH and XH X s C, Si, Ge
The blue mixed-crystal title compound Na 15 [Mo VI 126 Mo V 28 O 462 H 14 (H 2 O) 70 ] 0.5 [Mo VI 124 Mo V 28 O 457 H 14 (H 2 O) 68 ] 0.5 ´ca. 400 H 2 O º Na 15 [1 a] 0.5 [1 b] 0.5 ´ca. 400 H 2 O 1, which crystallizes in the triclinic space group P 1 (a = 30.785(2), b = 32.958(2), c = 47.318(3) A Ê