Effects of π centers and symmetry on two-photon absorption cross sections of organic chromophores

Wang, Chuan‐Kui; Macák, Peter; Luo, Yi; Ågren, Hans

doi:10.1063/1.1371258

Cited by 200 publications

(168 citation statements)

References 22 publications

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“…These results are in conformity with the results of Agren and co-workers, i.e. for asymmetric molecules both the dominant OPA and the dominant TPA state are the same [29]. In symmetric molecules, the dominant TPA state has the same symmetry as the ground state while the dominant OPA state has the opposite symmetry.…”

Section: Two-photon Absorption Cross-sectionsupporting

confidence: 81%

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Nonlinear optical properties of stilbene and azobenzene derivatives containing azaphosphane groups

Jha¹,

Pati²,

Ramasesha³

2005

Molecular Physics

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We have studied the nonlinear optical (NLO) properties of some donor-acceptor molecules with stilbene and azobenzene molecules as backbone. We have used the nitro group as the acceptor and azaphosphane (R 3 P¼N-) as the donor group. To study the effect of variation of NLO properties, we have replaced the substituents (Rs) connected to the phosphorus atom by methyl, amine and phenyl groups. We find that both first-order polarizability and hyperpolarizabilities are larger for stilbene derivatives and is maximum for the phenyl substitution. Second-order polarizability is higher for methyl substitution. We have also obtained the two-photon absorption cross-section for these molecules. We find that both one-photon and two-photon absorption cross-sections are maximum for the same excited state (first excited state in the case of stilbene and second excited state in the case of azobenzene derivatives).

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Section: Two-photon Absorption Cross-sectionsupporting

confidence: 81%

“…Using a sum-over-states expression and assuming that the major contribution to TPA comes from the resonant terms, one can write the two-photon matrix elements as [29] …”

Section: Methodsmentioning

confidence: 99%

Nonlinear optical properties of stilbene and azobenzene derivatives containing azaphosphane groups

Jha¹,

Pati²,

Ramasesha³

2005

Molecular Physics

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“…The main guiding principle used in those studies involved the electron transfer between electrondonor (D) and electron-acceptor (A) moieties attached symmetrically or asymmetrically to the π-conjugated bridge. The fluorene fragment in particular was found to be a good example of the π-conjugated bridge due to the highly delocalized π-system delocalized over the two benzene rings held together at a nearly coplanar orientation by the methylene bridge [117]…”

Section: Application Of Atda To Predict Two Photon Absorption Profilementioning

confidence: 99%

Theory and computations of two-photon absorbing photochromic chromophores

Masunov

Михайлов

2010

Eur. J. Chem.

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KEYWORDSExponential growth in information technology generates ever increasing amounts of data, making recording density of the storage media crucially important. Two-photon absorption was proposed as a basis for high-density multi-layer technology for optical memory and logic devices. This technology suggests to use polymers, doped with photochromic compounds that undergo a reversible photoinduced isomerization, or photoswitching. In this review we consider recent theoretical works and benchmarking studies of the DFT-based methods, capable to predict two-photon absorption (2PA) and photochemical activity, Next we review the applications of these methods to design a prototype molecule that combines the photonmode recording property of photochromic compounds with large 2PA cross-section. We conclude that a posteriori Tamm-Dancoff approximation to the second order CEO approach in Density Functional Theory is the powerful tool for both quantitative predictions and qualitative understanding of the excited state processes in photophysics and photochemistry. We also emphasize general principles for the rational design of a two-photon operated photoswitch.TDDFT Organic photochemistry Photocyclization Photoinduced reactions Two-photon absorption State-to-state transition dipoles

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“…A wide variety of molecules with large σ (2) have been developed, using both organic and inorganic materials. The most efficient of such materials are composed of donor (D) or acceptor (A) molecules linked by a conjugated π-bridge [8][9][10][11][12][13][14]. Donor and acceptor parts enhance polarization of molecule, which was also found to be a factor in enhancing 2PA.…”

Section: Introductionmentioning

confidence: 99%

“…The π-bridges also provide delocalization and conjugation, which is extremely effective in increasing σ (2) . Several well-known π-bridges that have been reported are trans-stilbene [8,10,11], fluorene [9], dithienothiophene [12,13], and butadiyne [13,14] linkers (Scheme 1). Elongation and dendrimerization [15,16] of the molecules also results in the enhancement of 2PA (Scheme 2).…”

Section: Introductionmentioning

confidence: 99%

Two-Photon Absorbing Molecules as Potential Materials for 3D Optical Memory

Ogawa

2014

Applied Sciences

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Abstract:In this review, recent advances in two-photon absorbing photochromic molecules, as potential materials for 3D optical memory, are presented. The investigations introduced in this review indicate that 3D data storage processing at the molecular level is possible. As 3D memory using two-photon absorption allows advantages over existing systems, the use of two-photon absorbing photochromic molecules is preferable. Although there are some photochromic molecules with good properties for memory, in most cases, the two-photon absorption efficiency is not high. Photochromic molecules with high two-photon absorption efficiency are desired. Recently, molecules having much larger two-photon absorption cross sections over 10,000 GM (GM= 10 ) have been discovered and are expected to open the way to realize two-photon absorption 3D data storage.

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Effects of π centers and symmetry on two-photon absorption cross sections of organic chromophores

Cited by 200 publications

References 22 publications

Nonlinear optical properties of stilbene and azobenzene derivatives containing azaphosphane groups

Nonlinear optical properties of stilbene and azobenzene derivatives containing azaphosphane groups

Theory and computations of two-photon absorbing photochromic chromophores

Two-Photon Absorbing Molecules as Potential Materials for 3D Optical Memory

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