Determination of hyperpolarizability tensor components by depolarized hyper Rayleigh scattering

Heesink, G.J.T.; Ruiter, A.G.T.; Hulst, Niek F. van; Bölger, B.

doi:10.1103/physrevlett.71.999

Cited by 139 publications

(94 citation statements)

References 18 publications

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“…3,4 This effect becomes important when using a SH wavelength to high energy of the ICT bands, and the importance of considering Kleinman-disallowed contributions has also been noted in studies with 2D Ni II Schiff base complexes 5 and a Zn II phthalocyanine derivative. 6 Because it is likely that a comparable situation may pertain for [3][4][5][6][7][8][9][10][11][12][13][14][15][16][17][18] …”

Section: Methods For Derivation Of β Components From Hrs Datamentioning

confidence: 99%

“…Calcd (%) for C 25 H 27 F 12 N 3 P 2 •0.3H 2 O: C, 45. 16;H,4.18;N,6.32. Found: C,45.16;H,4.25;N, ] + ), ] 2+ ).…”

Section: S4mentioning

confidence: 99%

“…12 All non-hydrogen atoms were refined anisotropically and hydrogen atoms were included in idealized positions by using the riding model, with thermal parameters of 1.2 times those of aromatic parent carbon atoms, and 1.5 times those of methyl parent carbons. The asymmetric units have the following compositions: for [8] [16][NapSO 3 ] 2 •2H 2 O diffracted especially weakly; despite using synchrotron radiation, and attempts to solve in multiple space groups, the best resolution and R1 value that could be obtained were 0.90 Å and 11.4%, respectively. All other calculations were carried out by using the SHELXTL package.…”

Section: Synthesis Of 2-methyl-12-[(e)-4-(4-dimethylaminophenyl)buta-mentioning

confidence: 99%

“…The Stark spectrum for each compound was measured at least twice. For the MS compounds [3][4][5][6][7][8][9][10][PF 6 ] 2 , the minor, relatively high energy ICT bands observed at room temperature are not evident at 77 K. Satisfactory fits of the Stark data for these salts were obtained by using the observed absorption spectra, but for [11][12][13][14][15][16][17][18][PF 6 ] 2 these spectra were modeled with a sum of two or three Gaussian curves that reproduce the data and separate the peaks. The first and second derivatives of the Gaussian curves were then used to fit the Stark spectra with Liptay's equation.…”

Section: Synthesis Of 2-methyl-12-[(e)-4-(4-dimethylaminophenyl)buta-mentioning

confidence: 99%

“…18 In analyzing the resulting data in cases involving spectral deconvolution (i.e. for [11][12][13][14][15][16][17][18][PF 6 ] 2 ), for f os and µ 12 it is appropriate to consider the total values for the two or three components, since the superposition of these gives the overall absorption profile. However, when comparing values of Δµ 12 , Δµ ab , r 12 , r ab , c b 2 and H ab , it is necessary to derive averages because the fitted Gaussian components represent hypothetical ICT transitions that are codirectional, but not additive with respect to these parameters.…”

Section: Synthesis Of 2-methyl-12-[(e)-4-(4-dimethylaminophenyl)buta-mentioning

confidence: 99%

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Diquat Derivatives: Highly Active, Two-Dimensional Nonlinear Optical Chromophores with Potential Redox Switchability

et al. 2010

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In this article, we present a detailed study of structure−activity relationships in diquaternized 2,2′-bipyridyl (diquat) derivatives. Sixteen new chromophores have been synthesized, with variations in the amino electron donor substituents, π-conjugated bridge, and alkyl diquaternizing unit. Our aim is to combine very large, two-dimensional (2D) quadratic nonlinear optical (NLO) responses with reversible redox chemistry. The chromophores have been characterized as their PF6 − salts by using various techniques including electronic absorption spectroscopy and cyclic voltammetry. Their visible absorption spectra are dominated by intense π → π* intramolecular charge-transfer (ICT) bands, and all show two reversible diquat-based reductions. First hyperpolarizabilities β have been measured by using hyper-Rayleigh scattering with an 800 nm laser, and Stark spectroscopy of the ICT bands affords estimated static first hyperpolarizabilities β0. The directly and indirectly derived β values are large and increase with the extent of π-conjugation and electron donor strength. Extending the quaternizing alkyl linkage always increases the ICT energy and decreases the E 1/2 values for diquat reduction, but a compensating increase in the ICT intensity prevents significant decreases in Stark-based β0 responses. Nine single-crystal X-ray structures have also been obtained. Time-dependent density functional theory clarifies the molecular electronic/optical properties, and finite field calculations agree with polarized HRS data in that the NLO responses of the disubstituted species are dominated by ‘off-diagonal’ β zyy components. The most significant findings of these studies are: (i) β0 values as much as 6 times that of the chromophore in the technologically important material (E)-4′-(dimethylamino)-N-methyl-4-stilbazolium tosylate; (ii) reversible electrochemistry that offers potential for redox-switching of optical properties over multiple states; (iii) strongly 2D NLO responses that may be exploited for novel practical applications; (iv) a new polar material, suitable for bulk NLO behavior.

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Section: Methods For Derivation Of β Components From Hrs Datamentioning

confidence: 99%

“…Calcd (%) for C 25 H 27 F 12 N 3 P 2 •0.3H 2 O: C, 45. 16;H,4.18;N,6.32. Found: C,45.16;H,4.25;N, ] + ), ] 2+ ).…”

Section: S4mentioning

confidence: 99%

Section: Synthesis Of 2-methyl-12-[(e)-4-(4-dimethylaminophenyl)buta-mentioning

confidence: 99%

Section: Synthesis Of 2-methyl-12-[(e)-4-(4-dimethylaminophenyl)buta-mentioning

confidence: 99%

Section: Synthesis Of 2-methyl-12-[(e)-4-(4-dimethylaminophenyl)buta-mentioning

confidence: 99%

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Diquat Derivatives: Highly Active, Two-Dimensional Nonlinear Optical Chromophores with Potential Redox Switchability

et al. 2010

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Supramolecular Materials: Molecular Packing of Tetranitrotetrapropoxycalix[4]arene in Highly Stable Films with Second-Order Nonlinear Optical Properties

Kenis

Noordman²,

Schönherr

et al. 1998

Chem. Eur. J.

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Highly stable films of tetranitrotetrapropoxycalix [4]arene (9) with second-order nonlinear optical (NLO) properties and a noncentrosymmetric structure were obtained by a novel crystallization process at 130 ± 140 8C in a dc electric field. The packing of 9 in these films was elucidated by a combination of X-ray diffraction, angle-dependent second-harmonic generation, and scanning force microscopy (SFM).The experimental results agree well with solid-state molecular dynamics calculations for these films. No crystalline phase was observed for nitrocalix [4]arene derivatives with longer or branched alkyl chains; this explains the limited NLO stability of films of these calixarenes. Scanning force microscopy on the aligned films of 9 showed two distinct surface lattice structures: a rectangular lattice (a 9.3, b 11.7 ) and a pseudohexagonal lattice (d % 11.4 ). The combination of these data with the interlayer distance of 8.9 (X-ray diffraction) allowed the packing of molecules of 9 in these structures to be fully elucidated at the molecular level.

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Nonlinear Optics

Houbrechts¹,

Hendrickx²,

Verbiest³

et al. 2001

Electron Transfer in Chemistry

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Determination of hyperpolarizability tensor components by depolarized hyper Rayleigh scattering

Cited by 139 publications

References 18 publications

Diquat Derivatives: Highly Active, Two-Dimensional Nonlinear Optical Chromophores with Potential Redox Switchability

Diquat Derivatives: Highly Active, Two-Dimensional Nonlinear Optical Chromophores with Potential Redox Switchability

Supramolecular Materials: Molecular Packing of Tetranitrotetrapropoxycalix[4]arene in Highly Stable Films with Second-Order Nonlinear Optical Properties

Nonlinear Optics

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