Study of vib-rotational spectra of van der Waals complexes containing SH4 and CH4
含SH4和CH4的范德华配合物的振动旋转光谱研究
基本信息
- 批准号:09640614
- 负责人:
- 金额:$ 0.32万
- 依托单位:
- 依托单位国家:日本
- 项目类别:Grant-in-Aid for Scientific Research (C)
- 财政年份:1997
- 资助国家:日本
- 起止时间:1997 至 1998
- 项目状态:已结题
- 来源:
- 关键词:
项目摘要
We have searched for rotational spectra of CD4--H20 and GeH4--H20 using a Fourier transform microwave (FTMW) machine which was built in our lab in 1998. Very recently we succeeded in observing the rotational spectra of CD4--H20, However, we could not detect a spectrum of GeH4--H20 and are still searching it. When a rotational spectrum of CH4--NO was searched, many absorption lines of trans- and cis-HONO and N2O3 were observed. Next we considered how to explain the difference between the spectral patterns of Ar--SiH4 and Ar--SiD4 which had already been observed using a FTMW spectrometer. It was difficult to explain the observed spectral patterns considering only a Coriolis interaction term, which couples the internal rotation of SiH4 and the end-over-end rotation of the complex. Then we considered an anisotropic potential of a van der Waals stretching mode for Ar--SiH4 and expanded this potential by a power series of van der Waals bond distance. In order to fit the observed spectral patterns of Ar--SiH4 and Ar-. SiD4, the potential orders were chosen to be -15 and -9, respectively. These values were corresponded to the repulsive and attractive forces of the Lennard-Jones potential for a spherical top molecule. In the addition, we tried to explain the observed rotational spectra of SiH4--H20 system by taking account for a diagonalization of the general internal rotation Hainiltonian. The potential barrier of SiH4--H20 was estimated to be about 260 cm- 1 because of rather strong hydrogen bonding. Finally, analyzing the rotational spectra of the excited vibrational states for LiBH4 and NaBH4, the energy differences and the Coriolis interaction constants were determined.
我们使用1998年在我们实验室建造的傅里叶变换微波(FTMW)机搜索了CD4- H20和GeH4- H20的旋转光谱。最近,我们成功地观察到了CD4- H20的旋转光谱,但是,我们无法检测到GeH4- H20的光谱,并且仍在寻找它。当搜索CH4—NO的旋转光谱时,观察到许多反式和顺式hono和N2O3的吸收谱线。接下来,我们考虑了如何解释已经使用FTMW光谱仪观察到的Ar—SiH4和Ar—SiD4光谱模式之间的差异。仅考虑一个科里奥利相互作用项(SiH4的内部旋转和配合物的端上端旋转耦合)很难解释观测到的光谱模式。然后,我们考虑了Ar—SiH4的范德华拉伸模式的各向异性势,并通过范德华键距离的幂级数展开了该势。为了拟合观测到的Ar- SiH4和Ar-的光谱模式。SiD4,选择的潜在订单分别为-15和-9。这些值对应于球形顶部分子的伦纳德-琼斯势的排斥力和引力。此外,我们试图通过考虑一般内旋海因顿量的对角化来解释观测到的SiH4—H20体系的旋转光谱。由于SiH4—H20具有较强的氢键作用,估计其势垒约为260 cm- 1。最后,通过分析LiBH4和NaBH4激发振动态的旋转谱,确定了它们的能量差和科里奥利相互作用常数。
项目成果
期刊论文数量(0)
专著数量(0)
科研奖励数量(0)
会议论文数量(0)
专利数量(0)
E.Hirota: "Internal Motion in Lithium Tetrahydroborate LiBH_4" J.Moleculor Spectroscopy. 181. 352-356 (1997)
E.Hirota:“四氢硼酸锂 LiBH_4 的内部运动”J.分子光谱。
- DOI:
- 发表时间:
- 期刊:
- 影响因子:0
- 作者:
- 通讯作者:
E.Hirota: "Internal Motion in Lithium Tetrahydroborate LiBH_4" J.Molecular Spectroscopy. 181. 352-356 (1997)
E.Hirota:“四氢硼酸锂 LiBH_4 的内部运动”J.分子光谱。
- DOI:
- 发表时间:
- 期刊:
- 影响因子:0
- 作者:
- 通讯作者:
E.Hirota and Y.Kawashima: "Internal Motion in Lithium Tetrahydroborate LiBH4" J.Mol.Spectrosc.Vol.181. 352-356 (1997)
E.Hirota 和 Y.Kawashima:“四氢硼酸锂 LiBH4 的内部运动”J.Mol.Spectrosc.Vol.181。
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- 影响因子:0
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KAWASHIMA Yoshiyuki其他文献
KAWASHIMA Yoshiyuki的其他文献
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