Activation of the HH bond by Ni2-porphyrinate
β Scribed by Victor M. Mamaev; Igor P. Gloriozov; Andrew V. Prisyajnyuk
- Book ID
- 111730045
- Publisher
- Royal Society of Chemistry
- Year
- 1998
- Tongue
- English
- Weight
- 225 KB
- Volume
- 8
- Category
- Article
- ISSN
- 0959-9436
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## Abstract The mechanism of Hο£ΏH Ο bond activation catalyzed by VO(^1^A~1~/^3^Aβ²) has been investigated by using density functional theory at the B3LYP/6β311G(2d, p) level and the singleβpoint energy calculations were done at the CCSD/6β311G (2d, p)//B3LYP/6β311G(2d, p) level of theory using the ge
The rotationally resolved photodissociation spectrum of mass-selected Ni~ has been observed. Much of the spectrum is congested and perturbed, making the assignment of spectroscopic constants difficult. However, the use of an accidental perturbation in the upper state is shown to simplify the interpr