Rotational States of Methyl Radical Monitored by EPR Line Shape of Matrix-Isolated CH \(_{3}\) in CO 详细信息    查看全文

• 作者：Yu. A. Dmitriev ; V. D. Melnikov ; I. A. Zelenetckii…
• 关键词：Electron paramagnetic resonance ; Matrix isolation ; Spectrum anisotropy ; Molecular rotation ; Quantum ; chemistry computation
• 刊名：Journal of Low Temperature Physics
• 出版年：2016
• 出版时间：December 2016
• 年：2016
• 卷：185
• 期：5-6
• 页码：633-640
• 全文大小：522 KB
• 刊物类别：Physics and Astronomy
• 刊物主题：Physics
  Condensed Matter
  Characterization and Evaluation Materials
  Magnetism and Magnetic Materials
  
• 出版者：Springer Netherlands
• ISSN：1573-7357
• 卷排序：185

文摘

Methyl radicals, CH\(_{3}\), were trapped in matrices of solid CO\(_{2}\) and N\(_{2}\)O by condensing the methyl along with the matrix constituents from the gas phase. The obtained EPR spectra were analyzed using EasySpin and/ or SimFonia simulation software and ab-initio computed quantum-chemistry parameters. We focus on two distinguished features of the spectra: the temperature-dependent linewidth anisotropy and the origin of the weak satellite doublets. The low-temperature spectral analysis of the satellites was based on the coupled representation of the three proton spins of CH\(_{3}\) and a recently obtained parameterization of the spin Hamiltonian based on one nuclear quartet and two doublets within the D\(_{3}\) group. These features were closely correlated to the state of rotation of the trapped radical.