Theoretical DFT Investigation of Structure and Electronic Properties of <i>η</i><sup>5</sup>-Cyclopentadienyl Half-Sandwich Organochalcogenide Complexes

Theoretical DFT Investigation of Structure and Electronic Properties of <i>η</i><sup>5</sup>-Cyclopentadienyl Half-Sandwich Organochalcogenide Complexes

For the first time, an extensive theoretical comparative study of the electronic structure and spectra of the <i>η</i><sup>5</sup>-cyclopentadienyl half-sandwich [(Cp)(EPh<sub>3</sub>)], E = Se, Te) organochalcogenides was carried out using direct space electronic...

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Bibliographic Details
Main Authors: G. T. Oyeniyi, Iu. A. Melchakova, S. P. Polyutov, P. V. Avramov
Format: Article
Language:English
Published: MDPI AG 2023-06-01
Series:Electronics
Subjects:
theoretical chemistry
DFT
TD-DFT
UV–Vis
spectrum
coordination
Online Access:https://www.mdpi.com/2079-9292/12/12/2738

Internet

https://www.mdpi.com/2079-9292/12/12/2738

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