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Scopus YÖKSİS DOI Eşleşti SJR Q2

Synthesis, structure, linear and third-order nonlinear optical behavior of N-(3-hydroxybenzalidene)4-bromoaniline

Journal of Molecular Structure · Nisan 2008

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YÖKSİS Kayıtları
Synthesis structure linear and third order nonlinear optical behavior of N 3 hydroxybenzalidene 4 bromoaniline
Journal of Molecular Structure · 2008 SCI-Expanded 23 atıf
Prof. Dr. ASLI KARAKAŞ →
YÖKSİS ISSN Eşleşmesi

Bu dergide (ISSN eşleşmesi) kurumun 20 kaydı bulundu.

YÖKSİS Kayıtları — ISSN Eşleşmesi
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Synthesis, structural characterization, DFT calculations, molecular docking, and antimicrobial activity studies of some new oxazolo[4,5-b]pyridine derivatives
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Amine derivatized calix 4 arenes for sensitive extraction of cupric ion and formation of amine radical cation
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New tridentate azo azomethines and their copper II complexes Synthesis solvent effect on tautomerism electrochemical and biological studies
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Novel dipodal Schiff base compounds Synthesis characterization and spectroscopic studies
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Nonlinear optical properties spectroscopic studies and structure of 2 hydroxy 3 methoxy N 2 chloro benzyl benzaldehyde imine
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Makale Bilgileri

ISSN00222860
Yayın TarihiNisan 2008
Cilt / Sayfa877 · 152-157
Özet N-(3-Hydroxybenzalidene)4-bromoaniline has been synthesized. Its crystal structure has been determined by X-ray diffraction analysis. To investigate microscopic third-order nonlinear optical (NLO) behavior of the title compound, we have computed both dispersion-free (static) and also frequency-dependent (dynamic) linear polarizabilities (α) and second hyperpolarizabilities (γ) at λ = 825-1125 nm and 1050-1600 nm wavelength areas using time-dependent Hartree-Fock (TDHF) method. The one-photon absorption (OPA) characterization has been theoretically obtained by means of configuration interaction (CI) method. The maximum OPA wavelengths are estimated in the UV region to be shorter than 450 nm, showing good optical transparency to the visible light. According to ab-initio calculation results on (hyper)polarizabilities, the synthesized molecule exhibits second hyperpolarizabilities with non-zero values, and it might have microscopic third-order NLO behavior. © 2007 Elsevier B.V. All rights reserved.

Yazarlar (3)

1
Asli Karakas
ORCID: 0000-0002-9034-5840
2
Hüseyin Ünver
3
Ayhan Elmali

Anahtar Kelimeler

Configuration interaction Dynamic second hyperpolarizability One-photon absorption Static second hyperpolarizability Time-dependent Hartree-Fock

Kurumlar

Ankara Üniversitesi
Ankara Turkey
Selçuk Üniversitesi
Selçuklu Turkey
Scimago Dergi (ISSN Eşleşmesi)
Journal of Molecular Structure
Q2
SJR Skoru0,628
H-Index134
YayıncıElsevier B.V.
ÜlkeNetherlands
Analytical Chemistry (Q2)
Inorganic Chemistry (Q2)
Organic Chemistry (Q2)
Spectroscopy (Q2)
Dergi sayfasına git

Metrikler

36
Atıf
3
Yazar
5
Anahtar Kelime

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