| dc.contributor.author | Bilkan, Mustafa Tugfan | |
| dc.contributor.author | Yurdakul, Senay | |
| dc.contributor.author | Demircioglu, Zeynep | |
| dc.contributor.author | Büyükgüngör, Orhan | |
| dc.date.accessioned | 2020-06-21T13:34:23Z | |
| dc.date.available | 2020-06-21T13:34:23Z | |
| dc.date.issued | 2016 | |
| dc.identifier.issn | 0022-328X | |
| dc.identifier.issn | 1872-8561 | |
| dc.identifier.uri | https://doi.org/10.1016/j.jorganchem.2016.01.014 | |
| dc.identifier.uri | https://hdl.handle.net/20.500.12712/13491 | |
| dc.description | WOS: 000369686400016 | en_US |
| dc.description.abstract | A new complex of N-(pyridin-2-yl) pyridin-2-amine (NDPA) molecule, which is [C10H9N3](4)AgNO3, has been synthesized for the first time and characterized by single-crystal X-ray diffraction, elemental analysis, Raman and infrared (at far and mid regions) spectroscopy. The complete vibrational frequencies, intensity of vibrational bands, optimized geometric structure, HOMO-LUMO energies, thermochemical properties and atomic charges for the compound were obtained by using density functional theory/B3LYP and LanL2DZ basis set. According to experimental results and theoretical calculations, the ligands are coordinated to the metal center in unidentate fashion. (C) 2016 Published by Elsevier B.V. | en_US |
| dc.language.iso | eng | en_US |
| dc.publisher | Elsevier Science Sa | en_US |
| dc.relation.isversionof | 10.1016/j.jorganchem.2016.01.014 | en_US |
| dc.rights | info:eu-repo/semantics/closedAccess | en_US |
| dc.subject | N-(pyridin-2-yl)pyridin-2-amine | en_US |
| dc.subject | Silver nitrate complex | en_US |
| dc.subject | FT-IR and FT-Raman spectra | en_US |
| dc.subject | Crystal structure | en_US |
| dc.subject | HOMO-LUMO energies | en_US |
| dc.title | Crystal structure, FT-IR, FT-Raman and DFT studies on a novel compound [C10H9N3](4)AgNO3 | en_US |
| dc.type | article | en_US |
| dc.contributor.department | OMÜ | en_US |
| dc.identifier.volume | 805 | en_US |
| dc.identifier.startpage | 108 | en_US |
| dc.identifier.endpage | 116 | en_US |
| dc.relation.journal | Journal of Organometallic Chemistry | en_US |
| dc.relation.publicationcategory | Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı | en_US |
