Detailed assignment of the CH chromophores in methyl mandelate and mandelic acid: A multi-experimental approach using polarized FTIR microspectroscopy of sublimated crystals

Nedi? M.; Suhm M.A.

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Detailed assignment of the CH chromophores in methyl mandelate and mandelic acid: A multi-experimental approach using polarized FTIR microspectroscopy of sublimated crystals

机译：扁桃酸甲酯和扁桃酸中CH发色团的详细分配：使用升华晶体的偏振FTIR显微技术进行的多实验方法

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A sublimation cell for the characterization of microcrystals using Fourier transform infrared (FTIR) microspectroscopy was constructed and applied to methyl mandelate and mandelic acid. It was possible to assign different CH chromophores in the FTIR spectra. Comparison to quantum chemical calculations, attenuated total reflectance infrared (ATR-IR) spectra of related compounds, and isotope labeling was used to support the assignments. Vibrational transition dipole vectors were deduced from crystal rotation and polarization experiments. The direction of these vectors can be used to constrain the absolute orientation of the molecules in the crystal as well as for the assignment of further vibrational bands.

机译：构造了使用傅里叶变换红外（FTIR）显微技术表征微晶的升华单元，并将其应用于扁桃酸甲酯和扁桃酸。可以在FTIR光谱中分配不同的CH生色团。与量子化学计算的比较，相关化合物的衰减全反射红外（ATR-IR）光谱以及同位素标记被用于支持该任务。从晶体旋转和极化实验推导了振动跃迁偶极子矢量。这些矢量的方向可用于约束晶体中分子的绝对方向，以及用于分配其他振动带。

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《Crystal growth & design》 |2012年第4期|共10页
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Nedi? M.; Suhm M.A.;
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正文语种 eng
中图分类晶体学;
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1. Detailed assignment of the CH chromophores in methyl mandelate and mandelic acid: A multi-experimental approach using polarized FTIR microspectroscopy of sublimated crystals [J] . Nedi? M., Suhm M.A. Crystal growth & design . 2012,第4期

机译：扁桃酸甲酯和扁桃酸中CH发色团的详细分配：使用升华晶体的偏振FTIR显微技术进行的多实验方法
2. Electrochemical quartz crystal nanobalance (EQCN) studies of the adsorption behaviour of an enzyme, mandelate racemase, and its substrate, mandelic acid, on Pt [J] . Christa L. Brosseau, Martin St. Maurice, Stephen L. Bearne, Electrochimica Acta . 2005,第6期

机译：电化学石英晶体纳米天平（EQCN）研究酶，扁桃酸酯消旋酶及其底物扁桃酸在Pt上的吸附行为
3. Electron-impact ionization of mandelic acid and mandelic acid methyl ester as prototypes for the C6H5CH(OH)-X system: ionization and appearance energies, activation energies and enthalpies of formation [J] . Opitz J European journal of mass spectrometry . 2005,第4期

机译：作为C6H5CH（OH）-X系统的原型，对扁桃酸和扁桃酸甲酯的电子轰击电离：电离和外观能，活化能和形成焓
4. Chiral tailor-made solvents and their impact on solution thermody-namics and crystallisation kinetics of mandelic acid [C] . S. K. Tulashie, J. von Langermann, H. Lorenz, International Workshop on Industrial Crystallization . 2010

机译：手性定制溶剂及其对施用热处理和晶体酸结晶动力学的影响
5. Chromophore motion during the bacteriorhodopsin photocycle: polarized absorption spectroscopy of bacteriorhodopsin and its M-state in bacteriorhodopsin crystals. [O] . G F Schertler, R Lozier, H Michel, 1991

机译：细菌视紫红质光周期中的发色团运动：细菌视紫红质的偏振吸收光谱及其在细菌视紫红质晶体中的M态。
6. Cocrystallization out of the blue:DL-mandelic acid/ethyl-DL-mandelate cocrystal [O] . Natalia Tumanova, Géraldine Springuel, Bernadette Nornberg, 2015

机译：用蓝色的共聚化：Dl-mandelic酸/乙基-DL-蛋白质烯丙烯酸酯

Detailed assignment of the CH chromophores in methyl mandelate and mandelic acid: A multi-experimental approach using polarized FTIR microspectroscopy of sublimated crystals

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