Spectroscopic investigations and quantum-mechanical calculations of electronic structure and optical properties in fluorene, fluorenone, and some of their derivatives

1968 ◽  
Vol 11 (5) ◽  
pp. 89-90
Author(s):  
V. I. Danilova ◽  
O. K. Bazyl
Keyword(s):  
Optical Properties ◽  
Electronic Structure ◽  
Quantum Mechanical ◽  
Quantum Mechanical Calculations ◽  
Spectroscopic Investigations

Stability, electronic and optical properties of the boron nitride cage (B47N53) from quantum mechanical calculations

2019 ◽  
Vol 111 ◽  
pp. 118-126 ◽  
Author(s):  
A. Rodríguez Juárez ◽  
F. Ortiz-Chi ◽  
M. Borges-Martínez ◽  
G. Cárdenas-Jirón ◽  
M. Salazar Villanueva ◽  
...  
Keyword(s):  
Optical Properties ◽  
Boron Nitride ◽  
Quantum Mechanical ◽  
Quantum Mechanical Calculations ◽  
Electronic And Optical Properties

scholarly journals Synthesis and investigation of nonlinear optical properties of Para Red: Z-scan technique and quantum mechanical calculations

2018 ◽  
Vol 36 (3) ◽  
pp. 445-451 ◽  
Author(s):  
Fatemeh Mostaghni ◽  
Yasaman Abed
Keyword(s):  
Optical Properties ◽  
Nonlinear Optical ◽  
Nonlinear Optical Properties ◽  
Nonlinear Susceptibility ◽  
Quantum Mechanical ◽  
Dipole Polarizability ◽  
Quantum Mechanical Calculations ◽  
Quantum Chemical Analysis ◽  
Third Order ◽  
532 Nm

AbstractIn this study, we present a systematic study of linear and nonlinear optical properties of Para Red with the aim of Z-scan technique and quantum mechanical calculations. The Z-scan experiments were performed using a 532 nm Nd: YAG (SHG) CW laser beam. Para Red exhibited a strong nonlinear refractive index, nonlinear absorption coefficient and third-order nonlinear susceptibility 3.487 × 10−6 cm2/W, 2.341 × 10−1cm/W and 2.157 × 10−4 esu, respectively. Also, quantum chemical analysis was used for the calculation of the dipole moment μ, dipole polarizability α, anisotropy of polarizability Δα and molecular hyperpolarizabilities (β,γ). The results revealed that Para Red has large first and second hyperpolarizabilities. However, from the obtained results, it was found that Para Red can be a promising material for applications in the development of non-linear optical materials.

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