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Studies on Molecular Systams Formed by Novel Interactions

Research Project

Project/Area Number 08044064
Research Category

Grant-in-Aid for international Scientific Research

Allocation TypeSingle-year Grants
SectionJoint Research
Research Field Physical chemistry
Research InstitutionThe Graduate University for Advanced Studies

Principal Investigator

HIROTA Eizi  The Graduate University for Advanced Studies, Central Office, president, 学長 (30011464)

Co-Investigator(Kenkyū-buntansha) HOUGEN J.T.  Natl. Inst. Stand. Tech., Senior Fel
KAWASHIMA Yoshiyuki  Department of Chemical Technology, Professor, 工学部, 教授 (60131009)
OHASHI Nobukimi  Kanazawa University, Faculty of Science, Professor, 理学部, 教授 (40019493)
HOUGEN Jon T.  National Institute of Standards and Technology, Optical Technology Division Seni
Project Period (FY) 1996 – 1997
Project Status Completed (Fiscal Year 1997)
Budget Amount *help
¥9,600,000 (Direct Cost: ¥9,600,000)
Fiscal Year 1997: ¥4,700,000 (Direct Cost: ¥4,700,000)
Fiscal Year 1996: ¥4,900,000 (Direct Cost: ¥4,900,000)
KeywordsSilane-Water Complex / Na_3 / Methanol Dimer / Tunneling Splitting / Pseudorotation / Argon-Silane Complex / Ionic Intermolecular Force / メタノールダイマー
Research Abstract

(1) Rotational Spectrum and Molecular Structure of the Silane-Water Complex
We 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 Complex
The 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_3
A 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 Dimer
Transition involving 16 K=0 levels and 32 K=1 levels were successfully analyzed, resulting in determination of four kinds of tunneling splittings.

Report

(3 results)
  • 1997 Annual Research Report   Final Research Report Summary
  • 1996 Annual Research Report
  • Research Products

    (15 results)

All Other

All Publications (15 results)

  • [Publications] 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)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1997 Final Research Report Summary
  • [Publications] E.Hirota. and Y.Kawashima: "Internal Motion in Lithium Tetrahydroborate LiBH_4" Journal of Molecular Spectroscopy. 181. 352-356 (1997)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1997 Final Research Report Summary
  • [Publications] Y.Kawashima, R.D.Suenram, and E.Hirota: "Determination of Nuclear Quadrupole Coupling Constants of NaOH,KOH,RbOH,and CsOH and Electric Dipole Moment of NaOH" Journal of Molecular Spectroscopy. 175. 99-103 (1996)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1997 Final Research Report Summary
  • [Publications] 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)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1997 Final Research Report Summary
  • [Publications] 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)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1997 Final Research Report Summary
  • [Publications] E.Hirota and Y.Kawashima :"Internal Motion in Lithium Tetrahydroborate LiBH_4" Journal of Molecular Spectroscopy. 181. 352-356 (1997)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1997 Final Research Report Summary
  • [Publications] Y.Kawashima, R.D.Suenram, and E.Hirota :"Determination of Nuclear Quadrupole Coupling Constants of NaOH,KOH,RbOH,and CsOH and Electric Dipole Moment of NaOH" Journal of Molecular Spectroscopy. 175. 99-103 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1997 Final Research Report Summary
  • [Publications] 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)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1997 Final Research Report Summary
  • [Publications] 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)

    • Related Report
      1997 Annual Research Report
  • [Publications] E.Hirota and Y.Kawashima: "Internal Motion in Lithium Tetrahydroborate LiBH_4" Journal of Molecular Spectroscopy. 181. 352-356 (1997)

    • Related Report
      1997 Annual Research Report
  • [Publications] 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. (印刷中).

    • Related Report
      1996 Annual Research Report
  • [Publications] S.Biermann,J.Hoeft,T.Torring,R.Mawhorter,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)

    • Related Report
      1996 Annual Research Report
  • [Publications] E.Hirota and Y.Kawashima: "Internal Motion in Lithium Tetrahydroborate LiBH_4." Journal of Molecular Spectroscopy. 181. 352-356 (1997)

    • Related Report
      1996 Annual Research Report
  • [Publications] J.T.Hougen: "Coordinates,Hamiltonian,and Symmetry Operations for the Small Amplitude Vibration Problem in Methyl-Top Internal-Rotor Molecules like CH_3CHO" Journal of Molecular Spectroscopy. 181. 287-296 (1997)

    • Related Report
      1996 Annual Research Report
  • [Publications] I.Kleiner,J.T.Hougen,J.U.Grabow,S.P.Belov,M.Yu.Tretyakov,and J.Cosleou: "The Third and Fourth Torsional States of Acetaldehyde" Journal of Molecular Spectroscopy. 179. 41-60 (1996)

    • Related Report
      1996 Annual Research Report

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Published: 1996-04-01   Modified: 2016-04-21  

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