Dynamical structures of intermolecular vibrational motions related with weak hydrogen bonding by terahertz time-domain spectroscopy

太赫兹时域光谱研究与弱氢键相关的分子间振动运动的动力学结构

• 批准号: 23750009
• 负责人: YAMAMOTO Kohji
• 金额: $ 3万
• 依托单位: University of Fukui
• 依托单位国家: 日本
• 项目类别: Grant-in-Aid for Young Scientists (B)
• 财政年份: 2011
• 资助国家: 日本
• 起止时间: 2011 至 2013
• 项目状态: 已结题
• 来源: https://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-23750009/
• 关键词: 分子動力学; テラヘルツ分光; テラヘルツ; 物理化学; ダイナミクス; 分子間相互作用; 誘電率

We investigated weak hydrogen bonding ofDMSO/cyclohexane solution by terahertz time-domain spectroscopy and mid IR absorption spectroscopy. We showed that both of the DMSO monomers and dimers are present in DMSO/cyclohexane solution by the observation of S=O stretching vibrations in the mid-IR region. We also showed the stability of the DMSO dimers formed through weak hydrogen bonding by quantum calculations based on density functional theory. Corresponding to the concentration range of formation of DMSO dimers we observed the broad THz absorption, indicating the intermolecular vibration of the DMSO dimers. We investigated the THz dielectric response of saturated hydrocarbon liquids with branched structures. We observed THz dielectric response dependent on the branching positions and the branched structures. Using MD simulation saturate hydrocarbon with ring-shaped structures shows dielectric broad response originating in underdamped vibrations, corresponding to our results. On the other hand we have failed in reproducing dependence of the dielectric response on the normal alkanes and those with branched structures. This results indicate that considerations of many-body effects are necessary to understand the terahertz dielectric response of saturated hydrocarbon.

利用太赫兹时域光谱和中红外吸收光谱研究了DMSO/环己烷溶液中的弱氢键。我们发现，无论是DMSO单体和二聚体存在于DMSO/环己烷溶液中的S=O伸缩振动在中红外区域的观察。我们还显示了通过弱氢键形成的DMSO二聚体的稳定性的量子计算的基础上的密度泛函理论。对应于DMSO二聚体形成的浓度范围，我们观察到宽的THz吸收，表明DMSO二聚体的分子间振动。研究了具有分支结构的饱和烃类液体的太赫兹介电响应。我们观察到THz介电响应依赖于分支位置和分支结构。利用分子动力学模拟方法，对具有环状结构的饱和烃进行了数值模拟，结果表明饱和烃的介电响应是由欠阻尼振动引起的，这与我们的研究结果相一致。另一方面，我们未能再现依赖的介电响应的正构烷烃和那些具有支链结构。这一结果表明，多体效应的考虑是必要的，以了解太赫兹的饱和烃的介电响应。

项目成果

Efficient electro-optic sampling detection of terahertz radiation via Cherenkov phase matching.

• DOI: 10.1364/oe.19.019901
• 发表时间: 2011-10
• 期刊: Optics express
• 影响因子: 3.8
• 作者: M. Tani;K. Horita;T. Kinoshita;C. Que;E. Estacio;Kohji Yamamoto;M. Bakunov

Lens Coupler and Magnetic Field Terahertz Emission Enhancement in InSb and InAs under 1.55-um Excitation

1.55 微米激发下 InSb 和 InAs 的透镜耦合器和磁场太赫兹发射增强

• 发表时间: 2013
• 期刊: Jpn. J. Appl. Phys.
• 作者: Sudo;Y.;Mizuno;M.;Wei;Z.;Takeuchi S.;Tahara. T.;Mizutani. Y.;田山純平,芦原聡;Hidekazu Nakajima
• 通讯作者: Hidekazu Nakajima

Terahertz emission from GaAs-AlGaAs core-shell nanowires on Si (100) substrate: Effects of applied magnetic field and excitation wavelength

• DOI: 10.1063/1.4791570
• 发表时间: 2013-02-11
• 期刊: APPLIED PHYSICS LETTERS
• 影响因子: 4
• 作者: John Ibanes, Jasher;Herminia Balgos, Ma;Tani, Masahiko
• 通讯作者: Tani, Masahiko

赤外分光法,時間領域テラヘルツ分光法,DFT 法を用いた，「弱い水素結合：CH…O」の形成によるプロピオンアルデヒド,ジメチルスルホキドの自己会合

使用红外光谱、时域太赫兹光谱和 DFT 方法通过形成“弱氢键：CH…O”进行丙醛和二甲亚砜的自缔合。

• 发表时间: 2012
• 作者: Yukihide Ishibashi; Miya Arinishi;Tsuyoshi Asahi;Tetsuro Katayama;and Hiroshi Miyasaka;H. P. Indo;水野 操;横田 泰之;原 援又;Kohji Yamamoto;水野和子
• 通讯作者: 水野和子

Terahertz emission from Indium Oxide films grown on MgO substrates using sub-bandgap photon energy excitation

使用亚带隙光子能量激发在 MgO 基底上生长的氧化铟薄膜的太赫兹发射

• 发表时间: 2012
• 期刊: Optics Express
• 影响因子: 3.8
• 作者: Elmer S.Estacio;Christopher T.Que;Fritz C.B.Awitan;Jan Issac Bugante;Francesca Isabel de Vera;Jonathan Azares;Jessica Afalla;Jeffrey de Vero;Armando S.Somintac;Roland V.Sarmago;Arnel A.Salvador;Kohji Yamamoto;Masahiko Tani
• 通讯作者: Masahiko Tani