Synthesis Spectroscopic UV vis and GIAO NMR Crystallographic and Theoretical Studies of Triazine Heterocyclic Derivatives
Yazarlar (9)
Salman A. Khan
Faculty Of Sciences, King Abdulaziz University, Suudi Arabistan
Faculty Of Sciences, King Abdulaziz University, Suudi Arabistan
Abdullah Y. Obaid
Faculty Of Sciences, King Abdulaziz University, Suudi Arabistan
Faculty Of Sciences, King Abdulaziz University, Suudi Arabistan
Laila M. Al-Harbi
Faculty Of Sciences, King Abdulaziz University, Suudi Arabistan
Faculty Of Sciences, King Abdulaziz University, Suudi Arabistan
Muhammad Nadeem Arshad
Faculty Of Sciences, King Abdulaziz University, Suudi Arabistan
Faculty Of Sciences, King Abdulaziz University, Suudi Arabistan
Prof. Dr. Onur ŞAHİN Sinop Üniversitesi, Türkiye
Prof. Dr. Cem Cüneyt ERSANLI Sinop Üniversitesi, Türkiye
R. M. Abdel-Rehman
Faculty Of Sciences, King Abdulaziz University, Suudi Arabistan
Faculty Of Sciences, King Abdulaziz University, Suudi Arabistan
Abdullah M. Asiri
Faculty Of Sciences, King Abdulaziz University, Suudi Arabistan
Faculty Of Sciences, King Abdulaziz University, Suudi Arabistan
Michael B. Hursthouse
University Of Southampton, İngiltere
University Of Southampton, İngiltere
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Journal of Molecular Structure (Q3) | ||
| Dergi ISSN | 0022-2860 Dergi Bilgileri (2015) | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | İngilizce | Basım Tarihi | 09-2015 |
| Cilt / Sayı / Sayfa | 1096 / 1 / 29–37 | DOI | 10.1016/j.molstruc.2015.04.036 |
| Makale Linki | http://linkinghub.elsevier.com/retrieve/pii/S0022286015003798 | ||
| UAK Araştırma Alanları |
Yoğun Madde Fiziği
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| Özet |
| This work presents the synthesis and characterization of triazine heterocyclic derivatives. The spectroscopic properties like nuclear magnetic resonance [NMR, (1H and 13C)] were recorded in CDCl3 solution and Ultraviolet–Visible (UV–vis) absorption spectrums of compounds, 5,6-diphenyl-[1,2,4]triazin-3-ylamine (1), (5,6-diphenyl-[1,2,4]triazin-3-yl)-hydrazine (2) and 5,6-diphenyl-4H-[1,2,4] triazine-3-thione (3), were recorded in the range of 200–800 nm, using chloroform as base solvent. Molecular geometry of compounds with triazine heterocyclic derivative in the ground state have been calculated using the density functional theory (DFT) with 6-31G(d,p) basis set and compared with the X-ray experimental data. The calculated results show that the optimized geometry can well reproduce the crystal structures. Total static dipole moment (μ), the average linear polarizability (α) and the first hyperpolarizability (β … |
| Anahtar Kelimeler |
| Keywords 1,2,4-Triazine Crystal structure DFT Non-linear optical properties HOMO-LUMO MEP |
Science Direct
Synthesis Spectroscopic UV vis and GIAO NMR Crystallographic and Theoretical Studies of Triazine Heterocyclic Derivatives
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| Atıf Sayıları | |
| Web of Science | 9 |
| Scopus | 9 |
| Google Scholar | 12 |