Synthesis, X-Ray Structural, Characterization, NLO, MEP, NBO, and HOMO–LUMO Analysis Using DFT Study of Co(II)bis(3,4 dimethoxybenzoate)bis(nicotinamide) Dihydrate
Yazarlar (4)
Prof. Dr. Elif Çelenk Kaya Gümüşhane Üniversitesi, Türkiye
Doç. Dr. Zeynep KELEŞOĞLU Sinop Üniversitesi, Türkiye
Prof. Dr. Afşin Ahmet Kaya Gümüşhane Üniversitesi, Türkiye
Orhan Büyükgüngör
Ondokuz Mayis Üniversitesi, Türkiye
Ondokuz Mayis Üniversitesi, Türkiye
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Molecular Crystals and Liquid Crystals (Q4) | ||
| Dergi ISSN | 1542-1406 Dergi Bilgileri (2015) | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | Ingilizce | Basım Tarihi | 04-2015 |
| Cilt / Sayı / Sayfa | 609 / 1 / 103–117 | DOI | 10.1080/15421406.2014.927964 |
| Makale Linki | http://dx.doi.org/10.1080/15421406.2014.927964 | ||
| UAK Araştırma Alanları |
Yoğun Madde Fiziği
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| Özet |
| A suitable single crystal of Co(II)bis(3,4 dimethoxybenzoate)bis(nicotinamide) dihydrate, formulated as C30H38N4O14Co,(I). According to experimental data, the complex can be characterized in the solid state as mononuclear, with a distorted octahedral stereochemistry. The distorted octahedral stereochemistry adopted by the complex was further confirmed by the x-ray structure analysis of current study, which consists of a six-coordinate Co atom in a distorted octahedral environment constructed from two N atoms and four O atoms. The title compound which has been characterized by IR, UV, and single crystal X-ray diffraction analysis at 296 K crystallizes in the monoclinic space group C 2/c with a = 27.9402(15) Å, b = 8.6005(3)Å, c = 14.7921(9)Å, α = 90°, β = 108.849(4)°, and γ = 90°, Z = 4. The molecular structure and geometry have also been optimized using B3LYP density functional theory method employing … |
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BM Sürdürülebilir Kalkınma Amaçları
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| Google Scholar | 11 |
| Google Scholar | 14 |