Enhanced two photon absorption cross section and optical nonlinearity of a quasi-octupolar molecule

Namboodiri, C. K. R.; Bongu, Sudhakara Reddy; Bisht, Prem B.; Mukkamala, Ramesh; Chandra, Bappaditya; Aidhen, Indrapal Singh; Kelly, Thomas J.; Costello, J. T.

doi:10.1016/j.jphotochem.2015.08.016

Cited by 13 publications

(2 citation statements)

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“…42 Subsequently, the preparation of DPATSP and its Nmethyl iodized salt, denoted by (DPATSP−Me) + I − , was realized for studying their two-photon absorption (TPA) properties by Bisht and co-workers. 43,44 It was found that the TPA cross section of (DPATSP−Me) + I − significantly increases relative to that of the DPATSP, and the former can serve as a better candidate for applications in nonlinearity.…”

Section: Introductionmentioning

confidence: 99%

“…In this case, tremendous amount of research for octupolar compounds similar to those already devoted to the dipolar molecules has been made. − An octupolar molecule DPATSB has been synthesized, and the NLO properties of it were studied in detail by Zhang et al in 2008 . Subsequently, the preparation of DPATSP and its N -methyl iodized salt, denoted by (DPATSP–Me) + I – , was realized for studying their two-photon absorption (TPA) properties by Bisht and co-workers. , It was found that the TPA cross section of (DPATSP–Me) + I – significantly increases relative to that of the DPATSP, and the former can serve as a better candidate for applications in nonlinearity.…”

Section: Introductionmentioning

confidence: 99%

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Extended First Hyperpolarizability of Quasi-Octupolar Molecules by Halogenated Methylation: Whether the Iodine Atom is the Best Choice

Liu

Hua

2018

J. Phys. Chem. C

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Inspired by a previous report, in which the quasi-octupolar molecules DPATSB, DPATSP, and (DPATSP−Me) + I − were synthesized and the iodized salt was proposed as a suitable optical limiting chromophore, we performed linear and nonlinear optical analyses on the synthesis molecules and several extension halogenated dyes ((DPATSP−Me) + X − (X = F, Cl, and Br)) by using density functional theory (DFT) and time-dependent DFT (TD-DFT) methods. The energy gap of frontier molecular orbitals (FMOs) was diminished by introducing the pyridinium ion into the system, and a charge-separated state was formed in halogenated salts. The N-methylation of the dye leads to a sharp increase in response characteristics, accompanied by a red-shift of the absorption spectrum from the ultraviolet region to the visible light region. Importantly, our studies show that there exists a significant halogen atomic-species dependence of the nonlinearity of the salts. Fluorination and bromination of the molecule seem to be more potential in improving the nonlinearity in zero-frequency and frequency-dependent incident light, respectively, without causing the undesirable red-shift of the absorption band relative to their halogenated analogues. The nonlinear optical (NLO) responses calculated by different DFTs are identical in trend.

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Section: Introductionmentioning

confidence: 99%