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| Content Provider | World Health Organization (WHO)-Global Index Medicus |
|---|---|
| Author | Kara, Yesim Mammadov, Ramazan Kara, Izzet Öztürk Kiraz, Asli |
| Description | Author Affiliation: Kara I ( Department of Science Education, Faculty of Education, Pamukkale University, Kinikli, 20070 Denizli, Turkey. Electronic address: ikara@pau.edu.tr.); Kara Y ( Department of Biology, Faculty of Arts and Sciences, Pamukkale University, Kinikli, 20017 Denizli, Turkey.); Öztürk Kiraz A ( Department of Physics, Faculty of Arts and Sciences, Pamukkale University, Kinikli, 20017 Denizli, Turkey.); Mammadov R ( Department of Physics, Faculty of Arts and Sciences, Pamukkale University, Kinikli, 20017 Denizli, Turkey.) |
| Abstract | Phenolic compounds generally have special smell, easily soluble in water, organic solvents (alcohols, esters, chloroform, ethyl acetate), in aqueous solutions of bases, colorless or colorful, crystalline and amorphous materials. Phenols form colorful complexes when they form compounds with heavy metals. In this study, the structural properties of a compound formed by catechol and Fe(+3) are investigated theoretically. The electronic and thermodynamic properties of the complex were also investigated in gas phase and organic solvents at B3LYP/6-31+G(d,p) and B3LYP/6-311++G(d,p) basis set. The formation of Fe-tris(catechol) complex compound is exothermic, and it is difficult to obtain the complex as the temperature increases. The observed and calculated FT-IR and geometric parameters spectra are in good agreement with empirical. |
| ISSN | 13861425 |
| Volume Number | 149 |
| e-ISSN | 18733557 |
| Journal | Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy |
| Language | English |
| Publisher | Elsevier |
| Publisher Date | 2015-01-01 |
| Publisher Place | Great Britain (UK) |
| Access Restriction | One Nation One Subscription (ONOS) |
| Subject Keyword | Catechols Chemistry Iron Models, Molecular Electrons Entropy Magnetic Resonance Spectroscopy Molecular Conformation Spectroscopy, Fourier Transform Infrared Thermodynamics Vibration Journal Article Research Support, Non-u.s. Gov't Discipline Spectroscopy |
| Content Type | Text |
| Resource Type | Article |
| Subject | Spectroscopy Atomic and Molecular Physics, and Optics Analytical Chemistry Instrumentation |
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