Detailed electronic description of triple bonds between transition metal atoms and verification by photoelectron spectroscopy

Using the SCF-Xα-SW method the ground state electronic structures of (HO)(3)Mo≡Mo(OH)(3), (H(2)N)(3)Mo≡Mo(NH(2))(3), and (Me(2)N)(3)Mo≡Mo(NMe(2)) have been calculated. The results provide a detailed description of the metal-to-metal triple bonds present; some of the more important molecular orbitals...

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Publicat a:	Proc Natl Acad Sci U S A
Autors principals:	Cotton, F. Albert, Stanley, George G., Kalbacher, Barbara J., Green, Jennifer C., Seddon, Elaine, Chisholm, Malcolm H.
Format:	Artigo
Idioma:	Inglês
Publicat:	National Academy of Sciences 1977
Matèries:	Physical Sciences: Chemistry
Accés en línia:	https://ncbi.nlm.nih.govhttps://pmc.ncbi.nlm.nih.gov/articles/PMC431455/ https://ncbi.nlm.nih.govhttps://pubmed.ncbi.nlm.nih.gov/16592425/ https://ncbi.nlm.nih.govhttps://doi.org/10.1073/pnas.74.8.3109
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