DFT/TDDFT Investigation on the Electronic Structure and Spectroscopic Properties of Cis-Dioxomolybdenum (VI) Complexes

In this contribution, two mononuclear molybdenum complexes with H2L tridentate (ONO) Schiff base ligand are characterized using computational techniques. Density functional theory (DFT) and its time extension (TD-DFT) calculations are performed to study the electronic structure in ground and excited...

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Hlavní autoři: IMANE SEGHIR, NADIA NEBBACHE, YAZID MEFTAH, SALAH EDDINE HACHANI, SAMIRA MAOU
Médium: Artigo
Jazyk:Inglês
Vydáno: Slovenian Chemical Society 2019-09-01
Edice:Acta Chimica Slovenica
Témata:
Molybdenum complexes
Schiff base
electronic absorption spectra
DFT
TD-DFT
On-line přístup:https://journals.matheo.si/index.php/ACSi/article/view/5044
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