Yazarlar (6) |
![]() Türkiye |
![]() Kırşehir Ahi Evran Üniversitesi, Türkiye |
![]() Kırşehir Ahi Evran Üniversitesi, Türkiye |
![]() Kırşehir Ahi Evran Üniversitesi, Türkiye |
![]() Kırşehir Ahi Evran Üniversitesi, Türkiye |
![]() Gazi Üniversitesi, Türkiye |
Özet |
This study reports a joint experimental, theoretical and microbiological investigation on the (E)-N,N-dimethyl-4-((pyridine-2-ylmethylene)amino)aniline (5), (E)-N,N-dimethyl-4-((pyridine-4-ylmethylene)amino)aniline (6) and (E)-N,N-dimethyl-4-((pyridine-3-ylmethylene)amino)aniline (7). These compounds were synthesized with microwave method and their structures characterized by FT-IR, 1H-NMR, 13C-NMR, and elemental analysis tecniques. In the theoretical studies, torsional barriers analysis, ground state structure, Fourier Transform Infrared spectra (FT-IR), and Nuclear Magnetic Resonance spectra (NMR) of 5, 6, and, 7 were calculated by Density Functional Theory (DFT) computations. The conformers obtained from the torsional barrier scanning were optimized by B3LYP/6-31G(d,p) level. The harmonic vibrational frequencies, potential energy distribution (PED), infrared intensities, and NMR chemical shifts of … |
Anahtar Kelimeler |
Makale Türü | Özgün Makale |
Makale Alt Türü | 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 |
Dergi Grubu | Q2 |
Makale Dili | Türkçe |
Basım Tarihi | 12-2022 |
Cilt No | 1269 |
Doi Numarası | 10.1016/j.molstruc.2022.133791 |
Makale Linki | http://dx.doi.org/10.1016/j.molstruc.2022.133791 |