Açık Akademik Arşiv Sistemi

A THEORETICAL STUDY ON A CHIRAL COORDINATION OF SILVER(I) WITH SACCHARINATE AND PYRIDINE [Ag(sac)(py)]

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dc.contributor.authors Pekparlak, A; Avci, D; Atalay, Y; Celik, T;
dc.date.accessioned 2020-01-14T12:20:39Z
dc.date.available 2020-01-14T12:20:39Z
dc.date.issued 2010
dc.identifier.citation Pekparlak, A; Avci, D; Atalay, Y; Celik, T; (2010). A THEORETICAL STUDY ON A CHIRAL COORDINATION OF SILVER(I) WITH SACCHARINATE AND PYRIDINE [Ag(sac)(py)]. ARABIAN JOURNAL FOR SCIENCE AND ENGINEERING, 35, 234-227
dc.identifier.issn 1319-8025
dc.identifier.uri https://hdl.handle.net/20.500.12619/3822
dc.description.abstract The molecular geometry, the normal mode frequencies, and corresponding vibrational assignments of chiral coordination monomer silver(I) with saccharinate and pyridine [Ag(sac)(py)] in the ground state were performed by HF and B3LYP levels of theory using the LanL2DZ basis set. The optimized bond lengths and bond angles are in good agreement with the x-ray data. The vibrational spectra of the title compound, which is calculated by HF and DFT methods, reproduces vibrational wave numbers and intensities with an accuracy which allows reliable vibrational assignments. The title compound [Ag(sac)(py)] has been studied theoretically in the 4000-200 cm-1 region and the assignment of all the observed bands was made. The analysis of the infrared spectra indicates that there are some structure-spectra correlations. Also, the molecular frontier orbital energies of the title compound have been calculated using HF and B3LYP/ LanL2DZ levels.
dc.language English
dc.publisher SPRINGER HEIDELBERG
dc.subject Science & Technology - Other Topics
dc.title A THEORETICAL STUDY ON A CHIRAL COORDINATION OF SILVER(I) WITH SACCHARINATE AND PYRIDINE [Ag(sac)(py)]
dc.type Article
dc.identifier.volume 35
dc.identifier.startpage 227
dc.identifier.endpage 234
dc.contributor.department Sakarya Üniversitesi/Fen-Edebiyat Fakültesi/Fizik Bölümü
dc.contributor.saüauthor Avcı, Davut
dc.contributor.saüauthor Atalay, Yusuf
dc.contributor.saüauthor Çelik, Tülay
dc.relation.journal ARABIAN JOURNAL FOR SCIENCE AND ENGINEERING
dc.identifier.wos WOS:000282439500017
dc.contributor.author Avcı, Davut
dc.contributor.author Atalay, Yusuf
dc.contributor.author Çelik, Tülay


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