| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Molecular Crystals and Liquid Crystals (Q3) | ||
| Dergi ISSN | 1542-1406 Dergi Bilgileri (2023) | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | Türkçe | Basım Tarihi | 08-2023 |
| Kabul Tarihi | – | Yayınlanma Tarihi | 08-08-2023 |
| Cilt / Sayı / Sayfa | 768 / 2 / 114–131 | DOI | 10.1080/15421406.2023.2243431 |
| Makale Linki | http://dx.doi.org/10.1080/15421406.2023.2243431 | ||
| UAK Araştırma Alanları |
Fiziksel Kimya
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| Özet |
| A new Schiff base ligand of 6,6′-(1Z,1′Z)-(butane-1,4-diylbis(azanylyidene))bis (phenylmethanylylidene))bis(3-octyloxy) phenol) was synthesized and characterized using XRD and different spectroscopic analyses (FTIR, 1H NMR, 13C NMR, and UV–Vis.) DFT/B3LYP/6-31G(d,p) level of theory was applied successfully to the present compound. Theoretically calculated parameters of the synthesized compound were compared with the experimentally obtained results. The optimized structure has been investigated using the same level of theory for various studies, including frontier molecular orbital analysis, molecular electrostatic potential, chemical reactivity indexes, natural bond orbital analysis, electrostatic potential, and the electrophilicity-based charge transfer with DNA bases. |
| Anahtar Kelimeler |
| DFT calculations | NBO | Schiff base | spectra and structure | XRD |
| Atıf Sayıları | |
| Scopus | 8 |
| Google Scholar | 9 |
| Dergi Adı | MOLECULAR CRYSTALS AND LIQUID CRYSTALS |
| Kısa Adı | MOL CRYST LIQ CRYST |
| Yayıncı | TAYLOR & FRANCIS LTD |
| Açık Erişim | Hayır |
| ISSN | 1542-1406 |
| E-ISSN | 1563-5287 |
| Wos Quartile | Q3 |
| Scopus Quartile | Q4 |
| Tarandığı Indeksler | SCIE , Scopus |
| WoS Kategoriler | CHEMISTRY, MULTIDISCIPLINARY | CRYSTALLOGRAPHY | MATERIALS SCIENCE, MULTIDISCIPLINARY |
| Scopus Kategoriler | CHEMISTRY (MISCELLANEOUS) | CONDENSED MATTER PHYSICS | MATERIALS SCIENCE (MISCELLANEOUS) |