Molecular structure spectroscopic investigations second order nonlinear optical properties and intramolecular proton transfer of E 5 diethylamino 2 4 propylphenylimino methyl phenol A combined experimental and theoretical study
Yazarlar (5)
Prof. Dr. Başak KOŞAR KIRCA Sinop Üniversitesi, Türkiye
Prof. Dr. Çiğdem ALBAYRAK KAŞTAŞ Sinop Üniversitesi, Türkiye
Prof. Dr. Cem Cüneyt ERSANLI Sinop Üniversitesi, Türkiye
Mustafa Odabaşoǧlu
Pamukkale Üniversitesi, Türkiye
Pamukkale 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 | Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy (Q2) | ||
| Dergi ISSN | 1386-1425 Dergi Bilgileri (2012) | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | İngilizce | Basım Tarihi | 07-2012 |
| Kabul Tarihi | – | Yayınlanma Tarihi | 01-07-2012 |
| Cilt / Sayı / Sayfa | 93 / 1 / 1–9 | DOI | 10.1016/j.saa.2012.03.004 |
| Makale Linki | https://linkinghub.elsevier.com/retrieve/pii/S1386142512002338 | ||
| UAK Araştırma Alanları |
Organik Kimya
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| Özet |
| This work presents a combined experimental and theoretical study on an ortho-hydroxy Schiff base compound, (E)-5-(diethylamino)-2-[(4- propylphenylimino)methyl]phenol. The crystal structure and spectroscopic properties of the compound have been determined by using X-ray diffraction, IR and UV-vis spectroscopy techniques. The electronic structure, vibrational frequencies and electronic absorption spectra have been investigated from the calculative point of view. A relaxed potential energy surface scan has been performed based on the optimized geometry of OH tautomeric form to describe the potential energy barrier belonging to intramolecular proton transfer and to observe the effects of transfer on the molecular geometry. The second-order nonlinear optical properties have been investigated based on the first static hyperpolarizability (β) by using the density functional theory. © 2012 Elsevier B.V. All rights reserved. |
| Anahtar Kelimeler |
| Crystal structure | Density functional theory | Intramolecular proton transfer | IR and UV-vis spectra | Schiff base | Second-order non-linear optical properties |
Science Direct
Molecular structure spectroscopic investigations second order nonlinear optical properties and intramolecular proton transfer of E 5 diethylamino 2 4 propylphenylimino methyl phenol A combined experimental and theoretical study
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Web of Science | 43 |
| Scopus | 49 |