Nonlinear-optical properties of two-level systems with permanent dipole moments

Thermally stable ferrocene-DPP dyads exhibit non-zero dipole moments as well as negative solvatochromism and show structure dependent second-order nonlinear polarizabilities.

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Theoretical study on nonlinear optical properties of N-(6-hydroxyhexyl)-5-nitroazophenyl carbazole

Journal of Nonlinear Optical Physics & Materials ◽

10.1142/s0218863518500364 ◽

2018 ◽

Vol 27 (04) ◽

pp. 1850036

Author(s):

Quanjie Zhong ◽

Jian Zheng ◽

Lin Zhang ◽

Xuan Luo

Keyword(s):

Optical Properties ◽

Charge Transfer ◽

Excited States ◽

Density Functional ◽

Nonlinear Optical ◽

Dipole Moments ◽

Electron Excitation ◽

Nonlinear Optical Properties ◽

Transition Dipole ◽

Leading Role

The first-, second- and third-order nonlinear optical properties of N-(6-hydroxyhexyl)-5-nitroazophenyl carbazole in gas phase employing sum-over-states (SOS) method have been calculated for the first time. The ground state molecular structure of N-(6-hydroxyhexyl)-5-nitroazophenyl carbazole was obtained by the geometrical optimizations based on the B3LYP/6-31[Formula: see text]G(d) level. The energy of excited states and transition dipole moments between different excited states were obtained by using the time-dependent density functional theory (TDDFT) based on the CAM-B3LYP/Sadlej POL level. Charge transfer during electron excitation was analyzed based on hole and electron distributions. Our calculations showed that the N-(6-hydroxyhexyl)-5-nitroazophenyl carbazole has good nonlinear optical properties and its nonlinear optical properties arise from charge-transfer excitation and local excitation but charge transfer plays the leading role.

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Substituent effects on linear and nonlinear optical properties of fluorescent (E)-2-(4-halophenyl)-7-arlstyrylimidazo[1,2-A]pyridine: spectroscopic and computational methods

Physical Sciences Reviews ◽

10.1515/psr-2018-0032 ◽

2018 ◽

Vol 4 (4) ◽

Author(s):

Siddheshwar D. Jadhav ◽

Ponnadurai Ramasami ◽

Nagaiyan Sekar

Keyword(s):

Optical Properties ◽

Excited State ◽

Nonlinear Optical ◽

Dipole Moments ◽

Nonlinear Optical Properties ◽

Photon Absorption ◽

Degree Of Polarization ◽

Hammett Constant ◽

Linear And Nonlinear ◽

The Difference

Abstract Effects of alkylamino and bromo substituents on imidazo[1,2-a]pyridines containing donor-π-acceptor type groups were comprehensively investigated for their linear and nonlinear optical properties by solvatochromic and DFT (CAM-B3LYP and BHandHLYP) methods. The difference between the ground and excited dipole moments as well as their ratios obtained by solvatochromic analysis indicate that the excited state is more polar than the ground state for both the bromo and diethyl amino derivative. More than twofold enhancement in the excited state dipole moments was observed as revealed by the difference and ratio of dipole moment upon the introduction of alkylamino donor group and these suggest large intramolecular charge transfer in the dyes. Stabilization energy above 20 kJ/mol was observed for large number of electron donor–acceptor interactions in Natural Bonding Orbital (NBO) analysis. Bond length alternation (BLA) and Bond order alternation (BOA) values tend to zero suggesting a high degree of polarization in the dyes. Enhancement in mean polarizability (α0), first hyperpolarizability (β0) and second static hyperpolarizabilities ( $\bar \gamma$) were observed by the introduction of alkylamino and bromo group in place of chloro in spite of the fact that Hammett constant of chloro and bromo are the same. The dyes have fundamental and intrinsic properties within the Hamiltonian limits. The two-photon absorption cross section value (≈100 GM) is comparable with LDS-698, a commercial TPA dye. This investigation is important for understanding the electronic structure of imidazo[1,2-a]pyridine with active functional groups and extending the potential for optical applications.

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Cylindrical Aggregates of TDBC: Linear and Nonlinear Optical Properties Versus Morphology

Solid State Phenomena ◽

10.4028/www.scientific.net/ssp.97-98.201 ◽

2004 ◽

Vol 97-98 ◽

pp. 201-206 ◽

Cited By ~ 4

Author(s):

A. Pugžlys ◽

P.R. Hania ◽

C. Didraga ◽

J. Knoester ◽

K. Duppen

Keyword(s):

Optical Properties ◽

Nonlinear Optical ◽

Dipole Moments ◽

Nonlinear Optical Properties ◽

Exciton Band ◽

Absorption Bands ◽

Linear Absorption ◽

Transition Dipole ◽

Linear And Nonlinear ◽

Double Wall

The linear and nonlinear optical properties of pure 3,3'-bis(3-carboxypropyl)-5,5',6,6'- tetrachloro-1,1'-dioctylbenzimidacarbocyanine (C8O3) aggregates as well as of C8O3 aggregates in the presence of PVA are studied at room temperature. The obtained results reveal that absorption spectra of both aggregates are governed by four absorption bands. Three of these represent transitions having dipole moments oriented parallel to the axis of the aggregate and one oriented perpendicular to it. The two lower energy parallel transitions are found to be weakly coupled which suggests that they represent two excitons located on different walls of the double-wall cylinder. In contrast, the lowest energy parallel transition and the transition having a transition dipole moment oriented perpendicular to the aggregate axis share the same ground state which reveals that they belong to the same exciton band. The manner of modification of the linear absorption with addition of PVA as well as the similarity of the pump-probe spectra of the two investigated aggregates suggests that this exciton band originates from the inner wall of the double-wall cylinder.

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NONLINEAR OPTICAL PROPERTIES IN MOLECULAR SYSTEMS WITH NON-ZERO PERMANENT DIPOLE MOMENTS IN FOUR-WAVE MIXING UNDER STOCHASTIC CONSIDERATIONS

Advances in Multi-Photon Processes and Spectroscopy ◽

10.1142/9789814749763_0005 ◽

2016 ◽

pp. 211-248

Author(s):

J. L. Paz ◽

A. Mastrodomenico ◽

Jaime F. Cardenas-Garcia ◽

Luis G. Rodriguez ◽

Cesar Costa Vera

Keyword(s):

Optical Properties ◽

Nonlinear Optical ◽

Dipole Moments ◽

Four Wave Mixing ◽

Nonlinear Optical Properties ◽

Wave Mixing ◽

Molecular Systems

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Unsymmetrical β-functionalized ‘push–pull’ porphyrins: synthesis and photophysical, electrochemical and nonlinear optical properties

Dalton Transactions ◽

10.1039/c9dt04252k ◽

2020 ◽

Vol 49 (10) ◽

pp. 3198-3208 ◽

Cited By ~ 3

Author(s):

Pinki Rathi ◽

Ekta ◽

Sandeep Kumar ◽

Dipanjan Banerjee ◽

Venugopal Rao Soma ◽

...

Keyword(s):

Optical Properties ◽

Good Yield ◽

Nonlinear Optical ◽

Dipole Moments ◽

Redox Properties ◽

Nonlinear Optical Properties ◽

Spectral Features ◽

Broad Absorption ◽

New Family ◽

First Time

A new family of unsymmetrical β-TPA appended ‘push–pull’ porphyrins has been synthesized in good yield for the first time. They exhibited red shifted broad absorption spectral features with high dipole moments and tunable redox properties.

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