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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Bibliografiset tiedot
Päätekijät: IMANE SEGHIR, NADIA NEBBACHE, YAZID MEFTAH, SALAH EDDINE HACHANI, SAMIRA MAOU
Aineistotyyppi: Artigo
Kieli:Inglês
Julkaistu: Slovenian Chemical Society 2019-09-01
Sarja:Acta Chimica Slovenica
Aiheet:
Molybdenum complexes
Schiff base
electronic absorption spectra
DFT
TD-DFT
Linkit:https://journals.matheo.si/index.php/ACSi/article/view/5044
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