Polarized IR and Raman spectra and ab initio calculations for bis(guanidine) zirconium bis(nitrilotriacetate) hydrate single crystal [C(NH2)(3)](2){Zr[N(CH2COO)(3)](2)}(H2O) - The new laser Raman converter

Hanuza J; Maczka M; Sasiadek W; Roszak S; Lipkowski P; Kaminskii AA; Haussuhl E; Hulliger J; Hussin AA

首页> 外文期刊>Spectrochimica acta, Part A. Molecular and biomolecular spectroscopy >Polarized IR and Raman spectra and ab initio calculations for bis(guanidine) zirconium bis(nitrilotriacetate) hydrate single crystal [C(NH2)(3)](2){Zr[N(CH2COO)(3)](2)}(H2O) - The new laser Raman converter

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Polarized IR and Raman spectra and ab initio calculations for bis(guanidine) zirconium bis(nitrilotriacetate) hydrate single crystal [C(NH2)(3)](2){Zr[N(CH2COO)(3)](2)}(H2O) - The new laser Raman converter

机译：双（三乙酸三乙氧基）锆水合单晶体[C（NH2）（3）]（2）{Zr [N（CH2COO）（3）]（2）}的偏振红外光谱和拉曼光谱及从头算计算H2O）-新型激光拉曼转换器

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Fourier transform polarized IR and Raman spectra of bis(guanidine) zirconium bis(nitrilotriacetate) hydrate single crystal [C(NH2)(3)](2) {Zr[N(CH2COO)(3)](2)}(H2O) have been measured in the regions 30-4000 and 80-4000cm(-1) and correlated with X-ray structural data. The factor group analysis has been applied in the discussion of the dichroic dependence of the vibrational modes. The assignment of the internal vibrations for the {[Zr(nitrilotriacetate)(2)]}(2-) complex ion has been based on the ab initio quantum chemical calculations. The usefulness of the studied crystal as Raman laser converter was analyzed basing on the comparison of the spontaneous and stimulated Raman spectra. (c) 2006 Elsevier B.V. All rights reserved.

机译：双（三乙酸三乙氧基）锆水合单晶体[C（NH2）（3）]（2）{Zr [N（CH2COO）（3）]（2）}（H2O）的傅里叶变换偏振红外光谱和拉曼光谱已在30-4000和80-4000cm（-1）区域进行了测量，并与X射线结构数据相关。因子组分析已用于讨论振动模式的二色性。 {[Zr（亚硝酸三乙酸酯）（2）]}（2-）复合离子的内部振动的分配是基于从头算量子化学计算的。通过比较自发和受激拉曼光谱，分析了所研究晶体作为拉曼激光转换器的有用性。（c）2006 Elsevier B.V.保留所有权利。

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《Spectrochimica acta, Part A. Molecular and biomolecular spectroscopy》 |2006年第4期|共16页
作者
Hanuza J; Maczka M; Sasiadek W; Roszak S; Lipkowski P; Kaminskii AA; Haussuhl E; Hulliger J; Hussin AA;
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正文语种 eng
中图分类分析化学;
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bis(guanidine) zirconium bis(nitrilotriacetate; polarized IR and Raman spectra; factor group analysis; quantum chemical calculations; laser Raman converter; ELECTRON-DENSITY; SYSTEMS;

机译：双（三乙酸三硝基胍）锆;极化红外光谱和拉曼光谱;族群分析;量子化学计算;激光拉曼转换器;电子密度;系统;

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1. Polarized IR and Raman spectra and ab initio calculations for bis(guanidine) zirconium bis(nitrilotriacetate) hydrate single crystal [C(NH2)(3)](2){Zr[N(CH2COO)(3)](2)}(H2O) - The new laser Raman converter [J] . Hanuza J, Maczka M, Sasiadek W, Spectrochimica acta, Part A. Molecular and biomolecular spectroscopy . 2006,第3a4期

机译：双（三乙酸三乙氧基）锆水合单晶体[C（NH2）（3）]（2）{Zr [N（CH2COO）（3）]（2）}的偏振红外光谱和拉曼光谱及从头算计算H2O）-新型激光拉曼转换器
2. Manifestations of new x~(3) - and X~(1)-nonlinear optical Interactions and X~(2)-properties of orthorhombic bis(guanidinium) zirconium bis(nitrilotriacetate) hydrate, [C(NH_2)_3]_2Zr[N(CH_2COO)_3]_2·H2O crystal [J] . Alexander A. Kaminskii, Lkhamsuren Bayarjargal, Eiken Haussuehl, Physica status solidi . 2011,第3期

机译：[C（NH_2）_3] _2Zr [N]的正交x〜（3）-和X〜（1）-非线性光学相互作用和正交性质的X〜（2）性质（CH_2COO）_3] _2·H2O晶体
3. Polarized absorption spectra and polarized Raman spectra of single crystals of trans(Cl-2)-[CoCl2(NH3)(n)(H2O)(4-n)]Cl complexes (n=2,3,4) [J] . Mitsutsuka Y, Hidaka H, Tsuboi M, Chemical Physics Letters . 2008,第4a6期

机译：反式（Cl-2）-[CoCl2（NH3）（n）（H2O）（4-n）] Cl络合物（n = 2,3,4）的单晶的偏振吸收光谱和偏振拉曼光谱
4. Raman Spectral Investigations on Enhancement of SHG Efficiency by Thiourea Doping in Bis Glycine Cadmium Chloride Single Crystals [C] . B. Raju, A. Saritha, P. S. R. Prasad, DAE Solid State Physics Symposium . 2011

机译：硫氨酸氯化镉单晶中硫脲掺杂对SHG效率提高的拉曼光谱研究
5. Raman and infrared spectra, conformational stability, normal coordinate analysis, vibrational assignment and ab initio calculations of some silicon or germanium containing compounds. [D] . Pan, Chunhua. 2005

机译：拉曼光谱和红外光谱，构象稳定性，法向坐标分析，振动分配以及某些含硅或锗化合物的从头算。
6. New Insights into the Crystal Chemistry of Elpidite Na2ZrSi6O15·3H2O and (Na1+YCax□1−X−Y)Σ=2ZrSi6O15·(3−X)H2O and Ab Initio Modeling of IR Spectra [O] . Alexander Bogdanov, Ekaterina Kaneva, Roman Shendrik 2021

机译：Elpidite晶体化学的新见解Na2Zr Si6O15·3H2O和（Na1 + Ycax□1-x-y）σ= 2zr Si6O15·（3-x）H2O以及IR光谱的AB Initio建模
7. Raman spectra of BN nanotubes: Ab initio and bond-polarizability model calculations [O] . Wirtz, Ludger, Lazzeri, Michele, Mauri, Francesco, 2014

机译：BN纳米管的拉曼光谱：从头算和键极化性模型计算
8. Polarized Raman spectra of single-crystal lanthanide oxychlorides. [R] . G. D. Del Cul S. E. Nave J. R. Peterson 1992

机译：单晶镧系元素氯氧化物的偏振拉曼光谱。

Polarized IR and Raman spectra and ab initio calculations for bis(guanidine) zirconium bis(nitrilotriacetate) hydrate single crystal [C(NH2)(3)](2){Zr[N(CH2COO)(3)](2)}(H2O) - The new laser Raman converter

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