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Temperature effect on the microscopic hydrogen-bond structuresof the solvated phenol cations

机译：溶剂化酚阳离子微观氢键结构的温度效应

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To investigate the temperature effect on the microscopic hydrogen-bond structures,wehave been carrying out UV photodissociation (UV-PD) spectroscopy on solvated phenolcations trapped in a temperature-variable ion trap.In the previous study,we revealed thetemperature dependence in the relative populations between isomers having a distincthydrogen-bond motif in the hydrated phenol cation,[PhOH(H2O)5]~+.1 It is well known thatmethanol molecules contract different hydrogen-bond networks than those of watermolecules.Thus,we have applied our method to the phenol-methanol cluster cations,[PhOH(MeOH)n]~+ (n = 3,4) in the present study.

机译：为了研究对微观氢粘合结构的温度效应，Wehave在以前的研究中捕获在温度可变离子陷阱中的溶剂化酚类上的紫外线光度分离（UV-PD）光谱。在前一项研究中，我们揭示了对相对群体的测定性依赖性在水合酚阳离子中具有明确的氢键基序的异构体之间，[PhOH（H2O）5]〜+ .1众所周知，众所周知的那种甲甲醇分子与水二核相结合不同的氢键网络。从而应用我们的方法本研究中的酚 - 甲醇聚类阳离子，[PHOH（MeOH）N]〜+（n = 3,4）。

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《日本化学会春季年会》|2020年|1 CD-ROM|共1页
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作者
Haruki Ishikawa; Masataka Orito; MasayoshiOzeki;
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中图分类石油化学工业;
关键词
Temperature dependence; Hydrogen bond; Photodissociation spectroscopy; Cold ion trap; Structural change;

机译：温度依赖;氢键;光度脱光光谱;冷离子陷阱;结构变化;

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1. Quantitative Temperature Dependence of the Microscopic Hydration Structures Investigated by Ultraviolet Photodissociation Spectroscopy of Hydrated Phenol Cations [J] . Ishikawa Haruki, Kurusu Itaru, Yagi Reona, Journal of physical chemistry letters . 2017,第11期

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2. An Infrared Study of π-Hydrogen Bonds in Micro-solvated Phenol: OH Stretching Vibrations of Phenol-X (X = C_6H_6, C_2H_4, and C_2H_2) Clusters in the Neutral and Cationic Ground States [J] . Asuka Fujii, Takayuki Ebata, Naohiko Mikami The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory . 2002,第37期

机译：中性和阳离子基态中微溶剂化苯酚中π-氢键的红外研究：苯酚-X（X = C_6H_6，C_2H_4和C_2H_2）簇的OH拉伸振动
3. Theoretical studies on the binding models of tetramethylammonium with phenol: Cation-pi and hydrogen-bond interactions [J] . Jiang Y, Wu J, Zu JW, International Journal of Quantum Chemistry . 2008,第7期

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4. Temperature effect on the microscopic hydrogen-bond structuresof the solvated phenol cations [C] . Haruki Ishikawa, Masataka Orito, MasayoshiOzeki 日本化学会春季年会 . 2020

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6. A first-principle protocol for calculating ionization energies and redox potentials of solvated molecules and ions: Theory and application to aqueous phenol and phenolate [O] . Debashree Ghosh, Anirban Roy, Robert Seidel, -1

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7. Efficient mineralization of phenol by a temperature-responsive polyoxometalate catalyst under wet peroxide oxidation at lower temperatures [O] . Yiming Li, Xueyan Zhang, Dan Zhang, 2017

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Temperature effect on the microscopic hydrogen-bond structuresof the solvated phenol cations

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