Synthesis, crystal growth, structural, spectral, thermal, optical characteristics and density functional theory calculations of a novel third-order nonlinear optical material: 4-acetylanilinium dihydrogen phosphate (4AADP) single crystals

The stability of the novel Pu(iv) silicate, Cs2PuSi6O15, was predicted from a combination of crystal chemical reasoning and DFT calculations and confirmed by its synthesis via flux crystal growth.

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Novel Mn(II) and Zn(II) complexes of 6‐bromopicolinic acid as a potential optical material: Synthesis, spectral characterizations, linear, and nonlinear optical properties and density functional theory calculations

Applied Organometallic Chemistry ◽

10.1002/aoc.6125 ◽

2020 ◽

Author(s):

Davut Avcı ◽

Yalda Saeedi ◽

Adil Başoğlu ◽

Necmi Dege ◽

Sümeyye Altürk ◽

...

Keyword(s):

Density Functional Theory ◽

Optical Properties ◽

Density Functional ◽

Nonlinear Optical ◽

Density Functional Theory Calculations ◽

Optical Material ◽

Material Synthesis ◽

Functional Theory ◽

Linear And Nonlinear ◽

Spectral Characterizations

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Simulating Third-Order Nonlinear Optical Properties Using Damped Cubic Response Theory within Time-Dependent Density Functional Theory

Journal of Chemical Theory and Computation ◽

10.1021/acs.jctc.5b01060 ◽

2016 ◽

Vol 12 (3) ◽

pp. 1294-1304 ◽

Cited By ~ 12

Author(s):

Zhongwei Hu ◽

Jochen Autschbach ◽

Lasse Jensen

Keyword(s):

Density Functional Theory ◽

Optical Properties ◽

Density Functional ◽

Nonlinear Optical ◽

Nonlinear Optical Properties ◽

Time Dependent ◽

Response Theory ◽

Third Order ◽

Functional Theory ◽

Dependent Density

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Study of the nonlinear optical properties of 4-nitroaniline type compounds by density functional theory calculations: Towards new NLO materials

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2018.04.016 ◽

2018 ◽

Vol 1133 ◽

pp. 25-32 ◽

Cited By ~ 3

Author(s):

Said Figueredo López ◽

Manuel Páez Meza ◽

Francisco Torres Hoyos

Keyword(s):

Density Functional Theory ◽

Optical Properties ◽

Density Functional ◽

Nonlinear Optical ◽

Density Functional Theory Calculations ◽

Nonlinear Optical Properties ◽

Functional Theory ◽

Nlo Materials

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Crystal growth, spectroscopic, second and third order nonlinear optical spectroscopic studies of L-phenylalanine doped ammonium dihydrogen phosphate single crystals

Arabian Journal of Chemistry ◽

10.1016/j.arabjc.2020.01.024 ◽

2020 ◽

Vol 13 (4) ◽

pp. 5018-5026 ◽

Cited By ~ 6

Author(s):

J.H. Joshi ◽

S. Kalainathan ◽

M.J. Joshi ◽

K.D. Parikh

Keyword(s):

Crystal Growth ◽

Single Crystals ◽

Nonlinear Optical ◽

Spectroscopic Studies ◽

Dihydrogen Phosphate ◽

Ammonium Dihydrogen Phosphate ◽

Third Order

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Computational study on redox-switchable second-order nonlinear optical properties of ferrocene-tetrathiafulvalene hybrid

RSC Advances ◽

10.1039/c4ra04548c ◽

2014 ◽

Vol 4 (72) ◽

pp. 38300-38309 ◽

Cited By ~ 7

Author(s):

Chun-Guang Liu ◽

Ming-Li Gao ◽

Zhi-Jian Wu

Keyword(s):

Density Functional Theory ◽

Optical Properties ◽

Density Functional ◽

Nonlinear Optical ◽

Computational Study ◽

Density Functional Theory Calculations ◽

Second Order ◽

Nonlinear Optical Properties ◽

Functional Theory

Redox-switchable second-order nonlinear optical (NLO) responses of a series of ferrocene-tetrathiafulvalene (Fc–TTF) hybrids have been studied based on density functional theory calculations.

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