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Fe-H/D stretching and bending modes in nuclear resonant vibrational, Raman and infrared spectroscopies: Comparisons of density functional theory and experiment

Infrared, Raman, and nuclear resonant vibrational (NRVS) spectroscopies have been used to address the Fe-H bonding in trans-Fe(H)(CO) iron hydride compound, Fe(H)(CO)(dppe)(2), dppe = 1,2-bis(diphenylphosphino)ethane. H and D isotopomers of the compound, with the selective substitution at the metal-...

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Autors principals: Pelmenschikov, Vladimir, Guo, Yisong, Wang, Hongxin, Cramer, Stephen P., Case, David A.
Format: Artigo
Idioma:Inglês
Publicat: 2011
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Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC3058621/
https://ncbi.nlm.nih.gov/pubmed/21322496
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