Computational studies on linear second and third order nonlinear optical properties of novel styrylquinolinium dyes
Yazarlar (8)
A. Karakas
Selçuk Üniversitesi, Türkiye
Selçuk Üniversitesi, Türkiye
Prof. Dr. Mustafa KARAKAYA Sinop Üniversitesi, Türkiye
M. Taser Selçuk Üniversitesi, Türkiye
Y. Ceylan Selçuk Üniversitesi, Türkiye
A. Gozutok Selçuk Üniversitesi, Türkiye
A. K. Arof
Universiti Malaya, Malezya
Universiti Malaya, Malezya
Y. El Kouari Hassan Iı University of Casablanca, Fas
B. Sahraoui Institut Des Sciences Et Technologies Moléculaires D'angers, Fransa
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Chemical Physics Letters (Q2) | ||
| Dergi ISSN | 0009-2614 Dergi Bilgileri (2016) | ||
| Dergi Tarandığı Indeksler | SCI | ||
| Makale Dili | İngilizce | Basım Tarihi | 03-2016 |
| Kabul Tarihi | – | Yayınlanma Tarihi | 01-03-2016 |
| Cilt / Sayı / Sayfa | 648 / 1 / 47–52 | DOI | 10.1016/j.cplett.2016.01.075 |
| Makale Linki | http://linkinghub.elsevier.com/retrieve/pii/S0009261416300070 | ||
| UAK Araştırma Alanları |
Atom, Molekül ve Lazer Fiziği
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| Özet |
| The electric dipole moments (μ), static dipole polarizabilities (α) and first hyperpolarizabilities (β) of styrylquinolinium dyes, D8 and D21, have been computed by density functional theory (DFT). The one-photon absorption (OPA) characterizations have been investigated using UV–vis spectroscopy and further interpreted using computational chemistry. The time-dependent Hartree–Fock (TDHF) method has been used to describe the dynamic dipole polarizabilities, dynamic second-order and also static and dynamic third-order nonlinear optical (NLO) properties. D8–D21 have rather high β and second hyperpolarizabilities (γ). The highest occupied molecular orbitals (HOMO), the lowest unoccupied molecular orbitals (LUMO) and the HOMO–LUMO band gaps for D8–D21 have been evaluated by DFT. |
| Anahtar Kelimeler |
Science Direct
Computational studies on linear second and third order nonlinear optical properties of novel styrylquinolinium dyes
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Web of Science | 16 |
| Scopus | 17 |
| Google Scholar | 17 |