Studies of third-order optical nonlinearities in C_60–toluene and C_70–toluene solutions

Zhang, Zhanxiang; Wang, Dadi; Ye, Peixian; Li, Yuliang; Wu, Peiji; Zhu, Daoben

doi:10.1364/ol.17.000973

Cited by 36 publications

(16 citation statements)

References 6 publications

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“…2,3 Unfortunately this error seems to be quite indicative of the later development with numerous measurements using different techniques obtaining data for the hyperpolarizability of C 60 scattered between 10 Ϫ24 and 10 Ϫ35 esu, i.e., an indeterminacy of 11 orders of magnitude. [4][5][6][7][8][9][10][11][12][13][14][15] Such discrepancies reflect many different problems encountered in experimental measurements as discussed in Ref. 15 and as also commented below.…”

Section: Patrick Norman Yi Luo Dan Jonsson and Hans åGrenmentioning

confidence: 99%

Ab initio calculations of the polarizability and the hyperpolarizability of C60

Norman

Luo

Jonsson

et al. 1997

The Journal of Chemical Physics

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The linear polarizability, α, and the second hyperpolarizability, γ, of C60 in gas phase have been computed by ab initio cubic response theory in the random phase approximation and with an efficient parallel implementation. With a tailored, well-tested, basis set, containing more than 1000 contracted basis functions the average values of α and γ are predicted to be 8.58×10−23 cm3 and 5.73×10−35 esu, respectively, which are about 8 and 9 times larger than the corresponding values for benzene calculated at the same level of accuracy.

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Section: Patrick Norman Yi Luo Dan Jonsson and Hans åGrenmentioning

confidence: 99%

Ab initio calculations of the polarizability and the hyperpolarizability of C60

Norman

Luo

Jonsson

et al. 1997

The Journal of Chemical Physics

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“…1 Associated with the delocalized π-conjugated electrons in fullerenes, their large nonlinear optical responses have been the subject of several recent experimental studies. [1][2][3][4][5][6][7][8][9][10] A wealth of experimental data concerning the thirdorder optical nonlinearities have been accumulated for the fullerenes C 60 , C 70 , and C 84 . The two most abundant fullerenes, C 60 and C 70 , have configurations with I h and D 5h symmetries, respectively.…”

mentioning

confidence: 99%

Static Third-Order Polarizability Calculations for C₆₀, C₇₀, and C₈₄

1996

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Valence electron contributions to the static molecular third-order polarizabilities (γ) are calculated for C 60 , C 70 , and two stable structures of C 84 (D 2 and D 2d ). The method utilized is based on the finite-field approach coupled with semiempirical polarization calculations on all-valence electrons. An increase in the third-order polarizability contributions is observed for molecular structures with a reduction in group symmetry, in agreement with recent experimental observations for these fullerenes. This increase is attributed mainly to the appearance of aromatic structures within the molecules as well as to the increase in molecular volume.Fullerenes are the subject of intensive research by many groups on several contents. There has also been a great deal of speculation about potential uses for fullerenes and their derivatives, ranging from electrochemistry and electronics (the latter based in part on the superconducting properties of alkalidoped fullerides) to catalysis, hydrogen storage, antiviral agents, and all-optical devices. 1 Associated with the delocalized π-conjugated electrons in fullerenes, their large nonlinear optical responses have been the subject of several recent experimental studies. 1-10 A wealth of experimental data concerning the thirdorder optical nonlinearities have been accumulated for the fullerenes C 60 , C 70 , and C 84 . The two most abundant fullerenes, C 60 and C 70 , have configurations with I h and D 5h symmetries, respectively. 11-14 C 84 has been recently synthesized, 15,16 and the most stable configurations have been determined to be D 2 and D 2d . 1,17 An interesting feature discovered by the experimental study is the increase of the third-order nonlinearity from C 60 to C 70 and to C 84 . 1 With the advances in the synthesis of macroscopic quantities of fullerenes, a theoretical understanding of the dependence of the nonlinear optical responses on the molecular symmetry and electronic properties is thus of particular interest.Theoretical calculations of third-order nonlinear effects have been carried out using various semiempirical and ab initio methods. π-electron calculations on unsaturated hydrocarbon chains have been used to predict third-order effects. 19 Ab initio methods applied to molecules with more than 15 atoms are extremely computer intensive. An alternative method using allvalence electrons and a semiempirical perturbation (sum-overstates approach) has generally been applied to molecules with less than 30 atoms. 20,21 In the present work, the procedure X

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“…9,10 In Fig. 2 an addition distinct postpeak shoulder on the wing of the instantaneous signal is present in the 0.01% fullerene-doped glass.…”

Section: ͓S0003-6951͑96͒02411-8͔mentioning

confidence: 87%