Anisotropic Adsorption of 2-Phenylethyl Alcohol on a Rutile (110) Surface,The Journal of Physical Chemistry C

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Anisotropic Adsorption of 2-Phenylethyl Alcohol on a Rutile (110) Surface
The Journal of Physical Chemistry C ( IF 3.3 ) Pub Date : 2019-12-02 , DOI: 10.1021/acs.jpcc.9b09209
Xinyi Liu _{1,

2} , Deheng Yang _{1,

2} , Yadong Li ₃ , Yi Gao ₃ , Wei-Tao Liu _{1,

2}

Affiliation

The interaction of aromatic alcohols with titanium dioxide (TiO₂) is involved in many applications, including the synthesis of TiO₂ nanocomposites and selective photocatalysis. We investigate here the anisotropic adsorption of 2-phenylethyl alcohol (2PA) on rutile (TiO₂) (110) as a model system using sum-frequency vibrational spectroscopy. 2PA molecules are found to have aromatic rings protruding out and aligning preferentially across the bridging oxygen rows, and instead of π–π interaction, such alignment of aromatic rings is mainly caused by the hydrogen bonding between 2PA and bridging oxygen sites as suggested by ab initio calculations.

中文翻译：

金红石（110）表面对2-苯基乙基醇的各向异性吸附

芳族醇与二氧化钛（TiO ₂）的相互作用涉及许多应用，包括TiO ₂纳米复合材料的合成和选择性光催化。我们在这里研究2-苯乙醇（2PA）在金红石（TiO ₂）（110）上的各向异性吸附，这是使用和频振动光谱法的模型系统。发现2PA分子的芳香环伸出并优先跨桥氧行排列，而不是π–π相互作用，这种芳香环的排列主要是由2PA从头开始所暗示的，是由于2PA与桥氧位之间的氢键引起的。计算。

更新日期：2019-12-03

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