General Information
    • ISSN: 2010-0221
    • Frequency: Bimonthly
    • DOI: 10.18178/IJCEA
    • Editor-in-Chief: Dr. Eldin W. C. Lim
    • Executive Editor: Mr. Ron C. Wu
    • Abstracting/ Indexing: Chemical Abstracts Services (CAS), Ulrich's Periodicals Directory, CABI, DOAJ, Electronic Journals Library, Google Scholar, Engineering & Technology Digital Library, ProQuest, and Crossref
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Editor-in-chief
Dr. Eldin W. C. Lim
Dept. of Chemical and Biomolecular Engineering,
National University of Singapore, Singapore
IJCEA 2016 Vol.7(3): 195-198 ISSN: 2010-0221
DOI: 10.7763/IJCEA.2016.V7.571

Synthesis, Spectroscopic and Quantum Chemical Studies of a Novel Cis-dioxomolybdenum(vi) Thiosemicarbazonate Complex

Berat İlhan Ceylan, Ayberk Yılmaz, Olcay Bölükbaşı, and Bahri Ülküseven
Abstract—The synthesis and characterization of dioxomolybdenum(VI) chelate complexes with 5-chloro-4- methyl-2-hydroxybenzophenone S-methyl-4- phenylthiosemicarbazone (L) in the form of [MoO2(L)D] where D is the nitrogen donor ligand, namely pyridine in this complex system. The mixed-ligand complexes were characterized by using elemental analysis, UV-Vis, Mid-IR and 1H-NMR spectroscopic techniques. In addition, optimized geometries and vibrational wavenumbers of the complexes were calculated DFT/B3LYP functional with LANL2DZ basis set. The assignment of the vibrational modes was performed based on the total energy distribution (TED).

Index Terms—Benzophenone, thiosemicarbazone, dioxomolybdenum(VI), vibrational spectra, TED, NBO.

Berat İlhan Ceylan and Bahri Ülküseven are with the Istanbul University, Faculty of Engineering, Inorganic Chesmitry Division, 34320, Avcılar- Istanbul, Turkey (e-mail: beril@istanbul.edu.tr, bahseven@istanbul.edu.tr).
Ayberk Yılmaz and Olcay Bölükbaşı are with the Istanbul University, Faculty of Science, Department of Physics, 34134, Vezneciler-Fatih, Istanbul, Turkey (e-mail: ayberkyilmaz@hotmail.com, olcayblkba@hotmail.com)

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Cite: Berat İlhan Ceylan, Ayberk Yılmaz, Olcay Bölükbaşı, and Bahri Ülküseven, "Synthesis, Spectroscopic and Quantum Chemical Studies of a Novel Cis-dioxomolybdenum(vi) Thiosemicarbazonate Complex," International Journal of Chemical Engineering and Applications vol. 7, no. 3, pp. 195-198, 2016.

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