Quantum chemical calculations and experimental studies of third order nonlinear optical properties of conjugated TTF quinones
Yazarlar (6)
A. Karakas
Selçuk Üniversitesi, Türkiye
Selçuk Üniversitesi, Türkiye
A. Migalska-Zalas J. Dlugosz Academy of Czestochowa, Polonya
Y. El Kouari Faculté Des Sciences Et Techniques De Mohammedia, Fas
A. Gozutok Selçuk Üniversitesi, Türkiye
Prof. Dr. Mustafa KARAKAYA Sinop Üniversitesi, Türkiye
S. Touhtouh Faculté Des Sciences D'el Jadida, Fas
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Optical Materials (Q2) | ||
| Dergi ISSN | 0925-3467 Dergi Bilgileri (2014) | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | İngilizce | Basım Tarihi | 02-2014 |
| Kabul Tarihi | – | Yayınlanma Tarihi | 01-11-2013 |
| Cilt / Sayı / Sayfa | 36 / 1 / 22–26 | DOI | 10.1016/j.optmat.2013.07.005 |
| Makale Linki | http://www.sciencedirect.com/science/journal/09253467 | ||
| UAK Araştırma Alanları |
Atom, Molekül ve Lazer Fiziği
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| Özet |
| To investigate microscopic third-order nonlinear optical (NLO) behaviour of two tetrathiafulvalene (TTF) derivatives, TTF–diquinone triad (1) and TTF–monoquinone dyad (2), we have computed both dispersion-free and also dispersion of dipole polarizabilities (α) and third-order hyperpolarizabilities (γ) at 532 nm wavelength using time-dependent Hartree–Fock (TDHF) method. The one-photon absorption (OPA) characterizations of the title molecules have been theoretically obtained by means of configuration interaction (CI) method with all doubly occupied molecular orbitals. We have also calculated the dynamic third-order susceptibilities (χ(3)) using the TDHF method. Our theoretical results on the maximum OPA wavelengths, third-order susceptibilities and corresponding microscopic NLO responses are in good agreement with the previous experimental observations of the examined TTF-based molecules. The … |
| Anahtar Kelimeler |
| Dipole polarizability | Onephoton absorption | Third-order hyperpolarizability | Third-order susceptibility | Time-dependent Hartree-Fock |
Science Direct
Quantum chemical calculations and experimental studies of third order nonlinear optical properties of conjugated TTF quinones
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Web of Science | 25 |
| Scopus | 27 |
| Google Scholar | 30 |