Thermally induced inter-ring haptotropic rearrangements in π-complexes of molybdenum with nitrogen containing polyaromatic heterocycles: A DFT study - Université de Rennes Access content directly
Journal Articles Journal of Organometallic Chemistry Year : 2017

Thermally induced inter-ring haptotropic rearrangements in π-complexes of molybdenum with nitrogen containing polyaromatic heterocycles: A DFT study

Abstract

Inter-ring haptotropic rearrangements (IRHRs) are well-known phenomena in fluxional ogranometallic chemistry. They are mainly observed for transition metal complexes with polyaromatic ligands (PALs), but are usually limited to PALs without heteroatoms. Here, we report DFT studies of recent experimentally observed IRHRs in heterocyclic complexes of Mo. Four different ligands (quinoline, isoquinoline, quinoxaline, and indolyl) have been investigated. Overall, structural and energetic trends agree well with available experimental data. In addition, mechanistic trends and heteroatom participation are discussed and elucidated to further understanding of IRHRs in heterocyclic polyaromatic complexes in particular, and haptotropic processes in general
Fichier principal
Vignette du fichier
Fetisov et al. - Thermally induced inter-ring haptotropic rearrange.pdf (1.27 Mo) Télécharger le fichier
mmc1.pdf (387.41 Ko) Télécharger le fichier
Origin : Files produced by the author(s)
Origin : Files produced by the author(s)
Loading...

Dates and versions

hal-01515134 , version 1 (22-05-2017)

Identifiers

Cite

E.O. Fetisov, I.P. Gloriozov, M.S. Nechaev, S. Kahlal, J.-Y. Saillard, et al.. Thermally induced inter-ring haptotropic rearrangements in π-complexes of molybdenum with nitrogen containing polyaromatic heterocycles: A DFT study. Journal of Organometallic Chemistry, 2017, 830, pp.212-218. ⟨10.1016/j.jorganchem.2016.12.004⟩. ⟨hal-01515134⟩
86 View
134 Download

Altmetric

Share

Gmail Facebook X LinkedIn More