Methylsalicylate: A rotational Spectroscopy study

Melandri S; Giuliano BM; Maris A; Favero LB; Ottaviani P; Velino B; Caminati W

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Methylsalicylate: A rotational Spectroscopy study

机译：水杨酸甲酯：旋转光谱研究

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We report the free-jet rotational spectra of methylsalicylate, a molecule with a possible tautomeric and conformational equilibrium. In the ground electronic state, the molecule adopts a form stabilized by an intramolecular hydrogen bond between the phenolic hydrogen and the carbonylic oxygen, and this structure is characterized as the lowest-energy form by quantum chemical calculations. All rotational transitions are split because of the internal rotation of the methyl group, and the value of the barrier for this motion was determined to be V-3 = 5.38 kJ mol(-1).

机译：我们报告了水杨酸甲酯，具有可能的互变异构和构象平衡的分子的自由喷射旋转光谱。在基态电子状态下，分子采用通过酚氢和羰基氧之间的分子内氢键稳定的形式，并且该结构被量子化学计算表征为最低能量形式。由于甲基的内部旋转，所有旋转跃迁均被拆分，该运动的势垒值确定为V-3 = 5.38 kJ mol（-1）。

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《The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory》 |2007年第37期|共4页
作者
Melandri S; Giuliano BM; Maris A; Favero LB; Ottaviani P; Velino B; Caminati W;
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正文语种 eng
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MILLIMETER-WAVE SPECTROSCOPY; HYDROGEN-ATOM TRANSFER; MICROWAVE-SPECTRUM; METHYL SALICYLATE; INTERNAL-ROTATION; PROTON-TRANSFER; EXCITED-STATES; FLUORESCENCE; ABSORPTION; 2-PYRIDONE;

机译：毫米波光谱;氢原子转移;微波光谱;水杨酸甲酯;内旋;质子转移;激发态;荧光;吸收;2-吡啶酮;

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1. Methylsalicylate: A rotational Spectroscopy study [J] . Melandri S, Giuliano BM, Maris A, The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory . 2007,第37期

机译：水杨酸甲酯：旋转光谱研究
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3. Muon spin rotation and infrared spectroscopy study of Ba1-xNaxFe2As2 [J] . Sheveleva E., Xu B., Marsik P., Physical review, B . 2020,第22期

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4. Theoretical and Experimental Vibrational Spectroscopy Study on Rotational Isomer of 4-Phenylbutylamine [C] . A. UNAL, M. OKUR Turkish Physical Society International Physics Congress . 2017

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机译：化学-高光谱成像，FT-IR / NIR，振动-旋转光谱，等离子，微波和中子光谱对氨基酸，蛋白质和核酸的结构和动力学研究

Methylsalicylate: A rotational Spectroscopy study

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