A cobalt II complex with 6 methylpicolinate Synthesis characterization second and third order nonlinear optical properties and DFT calculations
Yazarlar (5)
Sümeyye Altürk
Sakarya Üniversitesi, Türkiye
Sakarya Üniversitesi, Türkiye
Prof. Dr. Davut Avcı Sakarya Üniversitesi, Türkiye
Prof. Dr. Ömer Tamer Sakarya Üniversitesi, Türkiye
Prof. Dr. Yusuf Atalay Sakarya Üniversitesi, Türkiye
Prof. Dr. Onur ŞAHİN Sinop Üniversitesi, Türkiye
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Journal of Physics and Chemistry of Solids (Q2) | ||
| Dergi ISSN | 0022-3697 Dergi Bilgileri (2016) | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | İngilizce | Basım Tarihi | 11-2016 |
| Cilt / Sayı / Sayfa | 98 / 1 / 71–80 | DOI | 10.1016/j.jpcs.2016.06.008 |
| Makale Linki | http://linkinghub.elsevier.com/retrieve/pii/S002236971630138X | ||
| UAK Araştırma Alanları |
Yoğun Madde Fiziği
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| Özet |
| A cobalt(II) complex of 6-methylpicolinic acid, [Co(6-Mepic)2(H2O)2]·2H2O, was prepared and fully determined by single crystal X-ray crystal structure analysis as well as FT-IR, FT-Raman. UV–vis spectra were recorded within different solvents, to illustrate electronic transitions and molecular charge transfer within complex 1. The coordination sphere of complex 1 is a distorted octahedron according to single crystal X-ray results. Moreover, DFT (density functional theory) calculations with HSEH1PBE/6-311 G(d,p) level were carried out to back up the experimental results, and form base for future work in advanced level. Hyperconjugative interactions, intramolecular charge transfer (ICT), molecular stability and bond strength were researched by the using natural bond orbital (NBO) analysis. X-ray and NBO analysis results demonsrate that O−H···O hydrogen bonds between the water molecules and carboxylate oxygen … |
| Anahtar Kelimeler |
| Co(II) complex with 6-methylpicolinate | DFT/HSEH1PBE calculations | FT-IR, Raman | NLO properties | X-ray structure determination |
Science Direct
A cobalt II complex with 6 methylpicolinate Synthesis characterization second and third order nonlinear optical properties and DFT calculations
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| Atıf Sayıları | |
| Web of Science | 68 |
| Scopus | 68 |
| Google Scholar | 87 |