Van der Waals interactions in a monosolvated chiral fluorinated molecule: R2PI vibroelectronic spectra of (R)-1-phenyl-2,2,2-trifluoroethanol clustered with water

Giardini A; Rondino F; Cattenacci G; Paladini A; Piccirillo S; Satta M; Speranza M

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Van der Waals interactions in a monosolvated chiral fluorinated molecule: R2PI vibroelectronic spectra of (R)-1-phenyl-2,2,2-trifluoroethanol clustered with water

机译：单溶剂化手性氟化分子中的范德华相互作用：（R）-1-苯基-2,2,2-三氟乙醇与水团簇的R2PI振动电子光谱

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One colour mass selected resonant two photon ionization R2PI spectra of supersonically expanded (R)-1-phenyl-2,2,2-trifluoroethanol (FER) and its complex with water are reported. The excitation spectra are analyzed and discussed on the basis of theoretical predictions at the B3LYP/6-31G** level of theory. In the most stable conformer of FER, the OH group establishes an intramolecular hydrogen bond with one of the fluorine atoms of CF3. In the FER/water complex the formation of a structure in which the water molecule acts as proton acceptor from the OH group and proton donor to the fluorine atom of the CF3 group is found. (c) 2007 Elsevier B.V. All rights reserved.

机译：报告了一种颜色质量的超声膨胀的（R）-1-苯基-2,2,2-三氟乙醇（FER）及其与水的络合物的两个共振光子电离R2PI光谱。在B3LYP / 6-31G **理论水平的理论预测的基础上对激发光谱进行了分析和讨论。在最稳定的FER构象中，OH基团与CF 3的氟原子之一建立分子内氢键。在FER /水络合物中，发现一种结构形成，其中水分子起OH基和质子供体到CF 3基团的氟原子的质子受体的作用。（c）2007 Elsevier B.V.保留所有权利。

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《Chemical Physics Letters》 |2007年第6期|共6页
作者
Giardini A; Rondino F; Cattenacci G; Paladini A; Piccirillo S; Satta M; Speranza M;
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正文语种 eng
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SPECTROSCOPY; COMPLEXES;

机译：光谱;复杂度;

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1. Van der Waals interactions in a monosolvated chiral fluorinated molecule: R2PI vibroelectronic spectra of (R)-1-phenyl-2,2,2-trifluoroethanol clustered with water [J] . Giardini A, Rondino F, Cattenacci G, Chemical Physics Letters . 2007,第4a6期

机译：单溶剂化手性氟化分子中的范德华相互作用：（R）-1-苯基-2,2,2-三氟乙醇与水团簇的R2PI振动电子光谱
2. Van der Waals Bonding to a Molecule with pi-Electron Conjugation:Styrene-Argon Complex Studied by Mass Selective High Resolution R2PI UV Spectroscopy and Ab-initio Calculations [J] . By Sotir Chervenkov, Pengqian Wang, Tapas Chakraborty Zeitschrift fur Physikalische Chemie: International Journal of Research in Physical Chemistry and Chemical Physics . 2007,第5期

机译：范德华键与π电子共轭键合到分子上的研究：质谱选择性高分辨率R2PI紫外光谱法和从头算的研究
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5. Ultrafast laser studies of hydrogen-bonded andvan der Waals clusters: Real-time dynamics and intense field-matter interactions. [D] . Snyder, Eric M. 1997

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6. Average and extreme multi-atom Van der Waals interactions: Strong coupling of multi-atom Van der Waals interactions with covalent bonding [O] . Alexei V Finkelstein 2007

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8. Resonance-Enhanced Multiphoton Ionization of Van der Waals Molecules: Studies of Spectroscopic Shifts of Phenyl Acetylene Clustered with Molecules and Atoms [R] . Dao, P. D., Morgan, S., Castleman, A. W. 1984

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Van der Waals interactions in a monosolvated chiral fluorinated molecule: R2PI vibroelectronic spectra of (R)-1-phenyl-2,2,2-trifluoroethanol clustered with water

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