Synthesis of 2-(bis(cyanomethyl)amino)-2-oxoethyl methacrylate monomer molecule and its characterization by experimental and theoretical methods
Yazarlar (3)
Prof. Dr. Emine BABUR ŞAŞ
Kırşehir Ahi Evran Üniversitesi, Türkiye
Usak University, Türkiye
Kırşehir Ahi Evran Üniversitesi, Türkiye
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Journal of Molecular Structure | ||
| Dergi ISSN | 0022-2860 Wos Dergi Scopus Dergi | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | İngilizce | Basım Tarihi | 06-2018 |
| Cilt / Sayı / Sayfa | 1161 / 1 / 433–441 | DOI | 10.1016/j.molstruc.2018.01.088 |
| Makale Linki | https://linkinghub.elsevier.com/retrieve/pii/S0022286018301273 | ||
| Özet |
| In this work 2-(bis(cyanomethyl)amino)-2-oxoethyl methacrylate monomer has been synthesized as newly, characterized both experimentally and theoretically. Experimentally, it has been characterized by FT-IR, FT-Raman, H-1 and C-13 NMR spectroscopy techniques. The theoretical calculations have been performed with Density Functional Theory (DFT) including B3LYP method. The scaled theoretical wave numbers have been assigned based on total energy distribution (TED). Electronic properties of monomer have been performed using time-dependent TD-DFT/B3LYP/B3LYP/6-311G++(d,p) method. The results of experimental have been compared with theoretical values. Both experimental and theoretical methods have shown that the monomer was suitable for the literature. (C) 2018 Elsevier B.V. All rights reserved. |
| Anahtar Kelimeler |
| DFT | FT-Raman | FT-IR | NMR |
Science Direct
Synthesis of 2-(bis(cyanomethyl)amino)-2-oxoethyl methacrylate monomer molecule and its characterization by experimental and theoretical methods
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| WoS | 8 |
| SCOPUS | 9 |
| Google Scholar | 11 |