Studies on Molecular Systams Formed by Novel Interactions

新型相互作用形成的分子系统研究

• 批准号: 08044064
• 负责人: HIROTA Eizi
• 金额: $ 6.14万
• 依托单位: The Graduate University for Advanced Studies
• 依托单位国家: 日本
• 项目类别: Grant-in-Aid for international Scientific Research
• 财政年份: 1996
• 资助国家: 日本
• 起止时间: 1996 至 1997
• 项目状态: 已结题
• 来源: https://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-08044064/
• 关键词: Silane-Water Complex; Na_3; Methanol Dimer; Tunneling Splitting; Pseudorotation; Argon-Silane Complex; Ionic Intermolecular Force; メタノールダイマー

(1) Rotational Spectrum and Molecular Structure of the Silane-Water ComplexWe observed the rotational spectra which completely differ from those reported for complexes containing a T_d symmetry molecule. The observed data led to the conclusions that the complex is of completely new type with a short and hard Si-O distance and that the main internal motion is the internal rotation around the Si-O axis. It was also suggested that small splittings observed for each rotational line are caused by the internal motion of silane.(2) Rotational spectrum of the Silane-Argon ComplexThe spectrum was measured for both SiH_4-Ar and SiD_4-Ar. The A and E components of the former appeared in the order opposite to that normally expected. Several sets of potential functions were assumed for the silane-argon interaction in order to explain the observed splittings of the spectra, but the anomalous dependence of the splittings on isotopic species has not been explained.(3) Analysis of the B-X Transition of Na_3A Hamiltonian for the pseudo-rotation in the B state was derived based upon a group-theoretical consideration and was applied to the analysis of the observed spectra. Seven parameters included in the Hamiltonian reproduced the observed spectra with the standard deviation of 0.012 cm^<-1>.(4) Analysis of the Methanol DimerTransition involving 16 K=0 levels and 32 K=1 levels were successfully analyzed, resulting in determination of four kinds of tunneling splittings.

(1)硅烷-水配合物的旋转光谱和分子结构我们观察到的旋转光谱与报道的含有T_d对称分子的配合物的旋转光谱完全不同。观测数据表明，该配合物是一种全新类型的配合物，具有短而硬的Si-O距离，主要的内部运动是围绕Si-O轴的内旋转。还提出了在每条转动线上观察到的小分裂是由硅烷的内部运动引起的。(2)硅烷-氩气配合物的旋转光谱。测定了SiH_4-Ar和SiD_4-Ar的旋转光谱。前者的A和E分量出现的顺序与通常预期相反。为了解释观测到的光谱分裂现象，假设了硅烷-氩相互作用的几组势函数，但分裂对同位素种类的异常依赖尚未得到解释。(3)基于群理论推导了Na_3A B态伪旋转的B- x跃迁分析，并将其应用于观测光谱的分析。哈密顿量中包含的7个参数再现了观测光谱，标准差为0.012 cm^<-1>。(4)成功分析了16个K=0水平和32个K=1水平的甲醇二聚体过渡，确定了4种隧道分裂。

项目成果

S.Bierman, J.Hoeft, T.Torring, F.J. Lovas, R.D.Suenram, Y.Kawashima, and E.Hirota: "Microwave spectroscopy of mixed alkali halide dimers:LiNaF_2" Journal of Chemical Physics. 105. 9754-9761 (1996)

S.Bierman、J.Hoeft、T.Torring、F.J. Lovas、R.D.Suenram、Y.Kawashima 和 E.Hirota：“混合碱金属卤化物二聚体的微波光谱：LiNaF_2”化学物理杂志。

E.Hirota and Y.Kawashima: "Internal Motion in Lithium Tetrahydroborate LiBH_4." Journal of Molecular Spectroscopy. 181. 352-356 (1997)

E.Hirota 和 Y.Kawashima：“四氢硼酸锂 LiBH_4 的内部运动。”

N.Ohashi, M.Tsuura, J.T.Hougen, W.E.Ernst, and S.Rakowsky: "Effective Rotation-Psudorotation Hamiltonian for X_3-Type Molecules:Application to the B-X Transition of Na_3" Journal of Molecular Spectroscopy. 184. 22-34 (1997)

N.Ohashi、M.Tsuura、J.T.Hougen、W.E.Ernst 和 S.Rakowsky：“X_3 型分子的有效旋转-赝旋转哈密顿量：在 Na_3 的 B-X 转变中的应用”分子光谱学杂志。

E.Hirota and Y.Kawashima: "Internal Motion in Lithium Tetrahydroborate LiBH_4" Journal of Molecular Spectroscopy. 181. 352-356 (1997)

E.Hirota 和 Y.Kawashima：“四氢硼酸锂 LiBH_4 的内部运动”分子光谱学杂志。

N.Ohashi, M.Tsuura, J.T.Hougen, W.E.Ernst, and S.Rakowsky :"Effective Rotation-Pseudorotation Hamiltonian for X_3-Type Molecules : Application to the B-X Transition of Na_3" Journal of Molecular Spectroscpy. 184. 22-34 (1997)

N.Ohashi、M.Tsuura、J.T.Hougen、W.E.Ernst 和 S.Rakowsky：“X_3 型分子的有效旋转-赝旋转哈密顿量：在 Na_3 的 B-X 转变中的应用”分子光谱杂志。