記述言語：英語   掲載種別：研究論文（学術雑誌）  

DOI： 10.1021/jp1012494

Web of Science

PubMed

記述言語：日本語   掲載種別：研究論文（学術雑誌）  

記述言語：英語   掲載種別：研究論文（学術雑誌）  

記述言語：日本語   掲載種別：研究論文（学術雑誌）  

記述言語：英語   掲載種別：研究論文（学術雑誌）  

記述言語：英語   掲載種別：研究論文（学術雑誌）  

記述言語：英語   掲載種別：研究論文（学術雑誌）   出版者・発行元：AIP Publishing  

<jats:p>Rotation-vibration transitions of a van der Waals bending vibration, P=1∕2←3∕2, of the Ar–SH∕SD (XΠ2) complexes in the electronic ground state have been observed by applying newly developed microwave–millimeter-wave double-resonance spectroscopy. The rotational energy-level structure for the two isotopomers, with hyperfine structure due to the hydrogen or deuterium nuclei and parity doublings in the P=1∕2 state, has now been clarified. Detailed explanation of the double-resonance technique is also given.</jats:p>

DOI： 10.1063/1.1943967

Web of Science

PubMed

CiNii Research

記述言語：英語   掲載種別：研究論文（学術雑誌）  

記述言語：英語   掲載種別：研究論文（学術雑誌）  

記述言語：英語   掲載種別：研究論文（学術雑誌）  

DOI： 10.1063/1.1953508

Web of Science

PubMed

記述言語：英語   掲載種別：研究論文（学術雑誌）  

記述言語：英語   掲載種別：研究論文（学術雑誌）  

記述言語：英語   掲載種別：研究論文（学術雑誌）   出版者・発行元：AIP Publishing  

<jats:p>Pure rotational spectra of the ClOO radical for the Cl35 and Cl37 isotopomers have been observed using Fourier transform microwave and Fourier transform microwave–millimeter wave double resonance spectroscopy. The rotational, centrifugal, spin-rotation coupling, and hyperfine coupling constants have been determined by least-squares fits of the observed transition frequencies. The molecular constants indicate that the electronic ground state is A″3. The r0 structure is determined to be r0(ClO)=2.075 Å, r0(OO)=1.227 Å, and θ0(ClOO)=116.4°. Several highly accurate ab initio calculations have also been performed. Some of them turned out to be inaccurate because it is necessary to take into account both static and dynamic electronic correlations. Only multireference (single and double) configuration interaction calculations with large basis sets reproduce the present experimental results. The anharmonic force constants obtained by the ab initio calculations are used to determine the re structure, re(ClO)=2.084(1) Å, re(OO)=1.206(2) Å, and θe(ClOO)=115.4(1)°. Unique features of the ClOO radical have become clear by the present experiment and the ab initio calculations.</jats:p>

DOI： 10.1063/1.1792591

Web of Science

PubMed

CiNii Research

記述言語：英語   掲載種別：研究論文（学術雑誌）  

記述言語：英語   掲載種別：研究論文（学術雑誌）  

記述言語：英語   掲載種別：研究論文（学術雑誌）   出版者・発行元：AIP Publishing  

<jats:p>Pure rotational spectra of Ne–SH and Kr–SH have been studied by Fourier transform microwave spectroscopy. R-branch transitions in the lower-spin component (Ω=3/2) corresponding to a linear Πi2 radical were observed for J″=1.5–4.5 in the region 11–25 GHz for Ne–SH and for J″=1.5–6.5 in the region 5–20 GHz for Kr–SH, respectively, with parity doublings and hyperfine splittings associated with the H nucleus. Although the spectral pattern of Kr–SH is relatively regular, that of Ne–SH is irregular with the J dependence of the parity doublings quite different from other Rg–SH or Ar–OH complexes. Two-dimensional intermolecular potential energy surfaces (IPSs) for both of the species have been determined from the least-squares fittings of the observed rotational transitions utilizing results of high-level ab initio calculations. These IPSs reproduce the observed transition frequencies within the experimental error and provide accurate knowledge on the intermolecular interaction and internal dynamics. Systematic comparisons of Rg–SH complexes have clarified various features of this series of complexes.</jats:p>

DOI： 10.1063/1.1669384

Web of Science

PubMed

CiNii Research