Second-order Nonlinearities of Anionic 3-dicyanomethylen-5,5-dimethyle-1-[2-(4-hydroxyphenyl)ethenyl)]-cyclohexene
Yazarlar (6)
Prof. Dr. Mustafa KARAKAYA Sinop Üniversitesi, Türkiye
A. Karakas
Selçuk Üniversitesi, Türkiye
Selçuk Üniversitesi, Türkiye
M. Taser Selçuk Üniversitesi, Türkiye
N. Wolska
A. K. Arof
Universiti Malaya, Malezya
Universiti Malaya, Malezya
B. Sahraoui Institut Des Sciences Et Technologies Moléculaires D'angers, Fransa
| Makale Türü |
Özgün Makale
(SCOPUS dergilerinde yayınlanan tam makale)
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| Dergi Adı | Materials Today: Proceedings | ||
| Dergi ISSN | 2214-7853 Dergi Bilgileri (2016) | ||
| Dergi Tarandığı Indeksler | Conference Proceedings Citation Index | ||
| Makale Dili | İngilizce | Basım Tarihi | 01-2016 |
| Kabul Tarihi | – | Yayınlanma Tarihi | 01-01-2016 |
| Cilt / Sayı / Sayfa | 3 / 1 / – | DOI | 10.1016/j.matpr.2016.01.003 |
| Makale Linki | https://linkinghub.elsevier.com/retrieve/pii/S2214785316000043 | ||
| UAK Araştırma Alanları |
Atom, Molekül ve Lazer Fiziği
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| Özet |
| Due to the connecting one π-conjugated group with the two backside donor and acceptor groups, anionic 3-dicyanomethylen-5,5-dimethyle-1-[2-(4-hydroxyphenyl)ethenyl)]-cyclohexene (1) might possess nonlinear optical (NLO) properties. To estimate the potential for second-order NLO behaviour; the electric dipole moments and dispersion-free dipole polarizabilities and first hyperpolarizabilities have been determined by density functional theory (DFT) at B3LYP/6-31++G(d, p) level. Quantum mechanical calculations using time-dependent Hartree-Fock (TDHF) procedure have been utilized to evaluate frequency-dependent second-order nonlinearities of 1. The one-photon absorption (OPA) characterization of 1 has been theoretically obtained by means of configuration interaction (CI) with 6-31G basis set. Our theoretical results on the maximum OPA wavelength, second-order susceptibilities and corresponding … |
| Anahtar Kelimeler |
| Density functional theory | Dipole polarizability | First hyperpolarizability | NLO | One-photon absorption | Time-dependent Hartree-Fock |
Science Direct
Second-order Nonlinearities of Anionic 3-dicyanomethylen-5,5-dimethyle-1-[2-(4-hydroxyphenyl)ethenyl)]-cyclohexene
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