Assignment of the Electronic Spectra of [Mo(CN)8]4- and [W(CN)8]4- by ab initio Calculations.
β Scribed by M. F. A. Hendrickx; V. S. Mironov; L. F. Chibotaru; A. Ceulemans
- Publisher
- John Wiley and Sons
- Year
- 2004
- Weight
- 58 KB
- Volume
- 35
- Category
- Article
- ISSN
- 0931-7597
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π SIMILAR VOLUMES
I105.X (100
## Abstract At the G3(MP2) level of theory the __trans__ isomer 1a of the hypothetical molecule SF~4~(CN)~2~ is more stable than the __cis__ isomer 1b by 8 kJΒ·mol^β1^. The isomerization of 1a to 1b requires an activation enthalpy of 319Β kJΒ·mol^β1^ at 298Β K. The decomposition of __trans__βSF~4~(CN)~
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