Scopus
Determination of dipole polarizabilities and second hyperpolarizabilities in alkynyl-ruthenium complexes using quantum-chemical calculations
International Conference on Transparent Optical Networks · Ekim 2013
Makale Bilgileri
DergiInternational Conference on Transparent Optical Networks
Yayın TarihiEkim 2013
Scopus ID2-s2.0-84885225351
Özet
To investigate dispersion-free third-order nonlinear optical (NLO) behaviour of a series of ruthenium complexes, static dipole polarizabilities (α) and second hyperpolarizabilities (γ) have been determined by time-dependent Hartree-Fock (TDHF) method. To provide an insight into the frequency-dependent third-order NLO phenomena of the title compounds, the dynamic dipole polarizabilities and second hyperpolarizabilities using TDHF procedure have been also computed at the wavelengths used in third-harmonic generation (THG) measurements. According to the computation results, the examined molecules exhibit second hyperpolarizabilities with non-zero values, implying microscopic third-order NLO behaviour. To compare our theoretical results on third-order NLO manner with corresponding experimental data, we also give the calculation results of the dynamic third-order susceptibilities (χ(3)) for the studied complexes. © 2013 IEEE.
Yazarlar (5)
1
Asli Karakas
ORCID: 0000-0002-9034-5840
2
T. Dag
3
A. Migalska-Zalas
4
Jean Luc Fillaut
5
Bouchta Sahraoui
ORCID: 0000-0002-3934-2839
Anahtar Kelimeler
dipole polarizability
optical Kerr effect
second hyperpolarizability
third-order susceptibility
time-dependent Hartree-Fock
Kurumlar
Institut des Sciences Chimiques de Rennes
Rennes France
Institut des Sciences et Technologies Moléculaires d'Angers
Angers France
J. Dlugosz Academy of Czestochowa
Poland
Selçuk Üniversitesi
Selçuklu Turkey