Use of vibrational spectra for the determination of first-order molecular hyperpolarizabilities of push-pull polyenes as function of structural parameters

Del Zoppo M.; Zuliani P.; Razelli A.; Tommasini M.; Zerbi G.; Blanchard-Desce M.; Castiglioni C.

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Use of vibrational spectra for the determination of first-order molecular hyperpolarizabilities of push-pull polyenes as function of structural parameters

机译：使用振动光谱确定推拉多烯的一阶分子超极化率与结构参数的关系

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Experimental data on the nonlinear optical molecular hyperpolarizabilities of push-pull polyenes (measured with the vibrational method recently proposed) are presented and discussed. The analysis of the results and the interpretation of the spectral features allow us to establish structure-property relationships. These relationships are particularly helpful in the understanding of the mechanisms which rule the nonlinear optical behavior of organic polyconjugated compounds and in view of the design of new and improved materials. Comparison with other techniques, when available, correlate nicely with the conclusions reached with the vibrational method. (C) 1998 John Wiley & Sons, Inc. J Appl Polym Sci 70: 1311-1320, 1998. [References: 34]

机译：提出并讨论了有关推挽多烯的非线性光学分子超极化性的实验数据（采用最近提出的振动方法进行测量）。结果的分析和光谱特征的解释使我们能够建立结构-性质关系。这些关系对于理解控制有机多共轭化合物的非线性光学行为的机理以及新型和改良材料的设计特别有帮助。与其他技术的比较（如果可用）与振动法得出的结论很好地相关。（C）1998 John Wiley＆Sons，Inc. J Appl Polym Sci 70：1311-1320，1998。[参考：34]

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《Journal of Applied Polymer Science》 |1998年第7期|共10页
作者
Del Zoppo M.; Zuliani P.; Razelli A.; Tommasini M.; Zerbi G.; Blanchard-Desce M.; Castiglioni C.;
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正文语种 eng
中图分类高分子化学（高聚物）;高分子化合物产品;有机化学;
关键词
Vibrational spectroscopy; Infrared and raman intensities; Nonlinear optical properties; Polyene systems; Bond-length alternation; Donor-acceptor polyenes; Nonlinear-optical properties; Conjugated organic-molecules; 3rd-harmonic generation; Chain-length; End-groups; Polarizabilities; Model; Polarization;

机译：振动光谱;红外和拉曼强度;非线性光学性质;多烯系统;键长交替;给体受体多烯;非线性光学性质;共轭有机分子;三次谐波产生;链长;端基;可极化性;模型;极化;

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专利

1. Use of vibrational spectra for the determination of first-order molecular hyperpolarizabilities of push-pull polyenes as function of structural parameters [J] . Del Zoppo M., Zuliani P., Razelli A., Journal of Applied Polymer Science . 1998,第7期

机译：使用振动光谱确定推拉多烯的一阶分子超极化率与结构参数的关系
2. MOLECULAR FIRST HYPERPOLARIZABILITY OF PUSH-PULL POLYENES - RELATIONSHIP BETWEEN ELECTRONIC AND VIBRATIONAL CONTRIBUTION BY A TWO-STATE MODEL - COMMENT [J] . Bishop DM., Kirtman B. Physical Review, B. Condensed Matter . 1997,第4期

机译：推挽聚合物的分子第一超极化率-电子和振动贡献之间的两态模型关系-评论
3. VIBRATIONAL CONTRIBUTIONS TO THE MOLECULAR FIRST AND SECOND HYPERPOLARIZABILITIES OF A PUSH-PULL POLYENE [J] . Kim HS., Jeon SJ., Cho MH. The Journal of Chemical Physics . 1997,第6期

机译：推挽聚合物的分子第一和第二超极化率的振动贡献
4. Density Functional Study on the Structural Conformations and Intramolecular Charge Transfer From the Vibrational Spectra of 1 - (4- aminophenyl) 3-(3, 4 –dimethoxypheny1)-2-propen-1- one [C] . D. Sajan, Lynnette Joseph, I. Hubert Joe International Conference on Raman Spectroscopy . 2010

机译：密度函数研究从1 - （4-氨基苯基）3-（3,4-二甲氧基苯基1）-2-Prepen-1-振动光谱的结构构象和分子内电荷转移
5. Raman, infrared and microwave spectra, conformational stability, R0 structural parameters and vibrational assignments of some organoamines, organophosphines, alcohols and substituted four and five membered rings. [D] . Darkhalil, Ikhlas Daoud. 2014

机译：拉曼光谱，红外光谱和微波光谱，构象稳定性，R0结构参数以及一些有机胺，有机膦，醇和取代的四元和五元环的振动分配。
6. Solvation Effects on the Static and Dynamic First-Order Electronic and Vibrational Hyperpolarizabilities of Uracil: A Polarized Continuum Model Investigation [O] . Andrea Alparone 2013

机译：溶剂化对尿嘧啶的静态和动态一阶电子和振动超极化性的影响：极化连续谱模型研究
7. Vibrational Assignments, First-Order Hyperpolarizability and Molecular Structure of 5-(2-Chlorphenyl)-7-nitro-2,3-dihydro-1,4-benzodiazepine-2-one by Hartree-Fock and Density Functional Theory Calculations [O] . M. Prasath, S. Muthu 2013

机译：振动分配，通过Hartree-Fock和密度函数理论计算的5-（2-氯苯基）-7-硝基-2,3-二氢-1,4-苯并二氮杂卓-2-振动分配和分子结构
8. Hyperpolarizabilities of Push-Pull Polyenes: Experimental Results and a New Two-State Model [R] . Perry, J., Bourhill, G., Marder, S., 1994

机译：推挽多烯的超极化：实验结果和新的两态模型

Use of vibrational spectra for the determination of first-order molecular hyperpolarizabilities of push-pull polyenes as function of structural parameters

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