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  • 1955-1959  (7)
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  • 1955-1959  (7)
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  • 1
    Online Resource
    Online Resource
    Comments on the Structure of 1,1,1-Trifluoro-2-butyne
    AIP Publishing ; 1959
    In:  The Journal of Chemical Physics Vol. 30, No. 4 ( 1959-04-01), p. 1101-1102
    Details
    In: The Journal of Chemical Physics, AIP Publishing, Vol. 30, No. 4 ( 1959-04-01), p. 1101-1102
    Type of Medium: Online Resource
    ISSN: 0021-9606 , 1089-7690
    URL: Article
    DOI: 10.1063/1.1730094
    Language: English
    Publisher: AIP Publishing
    Publication Date: 1959
    detail.hit.zdb_id: 3113-6
    detail.hit.zdb_id: 1473050-9
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    Online Resource
  • 2
    Online Resource
    Online Resource
    Microwave Spectrum and Dipole Moment of Cyclopentadiene
    AIP Publishing ; 1956
    In:  The Journal of Chemical Physics Vol. 24, No. 3 ( 1956-03-01), p. 635-636
    Details
    In: The Journal of Chemical Physics, AIP Publishing, Vol. 24, No. 3 ( 1956-03-01), p. 635-636
    Type of Medium: Online Resource
    ISSN: 0021-9606 , 1089-7690
    URL: Article
    DOI: 10.1063/1.1742585
    Language: English
    Publisher: AIP Publishing
    Publication Date: 1956
    detail.hit.zdb_id: 3113-6
    detail.hit.zdb_id: 1473050-9
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  • 3
    Online Resource
    Online Resource
    Microwave Spectrum and Internal Rotation of 1-Chloro-2-Butyne
    AIP Publishing ; 1959
    In:  The Journal of Chemical Physics Vol. 31, No. 4 ( 1959-10-01), p. 939-943
    Details
    In: The Journal of Chemical Physics, AIP Publishing, Vol. 31, No. 4 ( 1959-10-01), p. 939-943
    Abstract: The microwave spectrum of CH3C≡CCH2Cl has been investigated in the region from 20–30 kMc. The existence of nearly free internal rotation gives rise to regions of very dense absorption. Transitions of the type ΔJ = 1, ΔK = 0 have been identified for the ground torsional state (m = 0). The ground state spectrum is that of an effective rigid rotor with the rotational constants modified by the internal rotation. Values for the effective rotational constants are 17 631, 1490.55, 1385.06 Mc for the Cl35 species; and 17 329, 1459.76, 1357.26 Mc for the Cl37 species. These rotational constants permit an upper bound of 100 cal/mole to be established for the barrier to internal rotation. A structural analysis indicates that the CCl bond is longer than in CH3Cl.
    Type of Medium: Online Resource
    ISSN: 0021-9606 , 1089-7690
    URL: Article
    DOI: 10.1063/1.1730555
    Language: English
    Publisher: AIP Publishing
    Publication Date: 1959
    detail.hit.zdb_id: 3113-6
    detail.hit.zdb_id: 1473050-9
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  • 4
    Online Resource
    Online Resource
    Microwave Spectrum and Internal Rotation of Ethyl Cyanide
    AIP Publishing ; 1959
    In:  The Journal of Chemical Physics Vol. 31, No. 6 ( 1959-12-01), p. 1500-1505
    Details
    In: The Journal of Chemical Physics, AIP Publishing, Vol. 31, No. 6 ( 1959-12-01), p. 1500-1505
    Abstract: The microwave spectrum of ethyl cyanide has been studied in the region from 17–36 kMc. Both parallel and perpendicular transitions have been assigned. Rotational constants (Mc) for the ground vibrational state are a0=27 663.30, b0=4714.14, c0=4235.14, DJ=0.0035, DJK=—0.0496. From Stark effects the dipole moment is calculated to be μa=3.78 D, μb=1.38 D, μ=4.02 D. Hyperfine splittings lead to a value of —3.3 Mc for the quadrupole coupling of the N14 nucleus along the a axis. Rotational transitions of molecules in several excited vibrational states have also been measured. A Coriolis interaction between the torsional mode and the in-plane CCN bend has been found and is discussed. Splittings of transitions of molecules in the first excited torsional state show that the barrier hindering internal rotation of the methyl group is 3.05 kcal/mole.
    Type of Medium: Online Resource
    ISSN: 0021-9606 , 1089-7690
    URL: Article
    DOI: 10.1063/1.1730643
    Language: English
    Publisher: AIP Publishing
    Publication Date: 1959
    detail.hit.zdb_id: 3113-6
    detail.hit.zdb_id: 1473050-9
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  • 5
    Online Resource
    Online Resource
    Note on the Determination of Molecular Structure from Spectroscopic Data
    AIP Publishing ; 1958
    In:  The Journal of Chemical Physics Vol. 28, No. 4 ( 1958-04-01), p. 704-706
    Details
    In: The Journal of Chemical Physics, AIP Publishing, Vol. 28, No. 4 ( 1958-04-01), p. 704-706
    Abstract: The problem of the change upon isotopic substitution of ``effective'' bond lengths and angles involving hydrogen is considered. Evidence is presented that in certain cases such variation is largely due to vibration of the heavy atoms rather than of the hydrogens. A method of calculating this effect is presented which utilizes a parameter similar to the ``quantum defect'' Δv=Ic—Ia—Ib observed in planar molecules. Estimates are given of the changes to be expected in effective hydrogen parameters upon isotopic substitution. Bond angles are found to slightly increase and bond lengths are found to decrease.
    Type of Medium: Online Resource
    ISSN: 0021-9606 , 1089-7690
    URL: Article
    DOI: 10.1063/1.1744218
    Language: English
    Publisher: AIP Publishing
    Publication Date: 1958
    detail.hit.zdb_id: 3113-6
    detail.hit.zdb_id: 1473050-9
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  • 6
    Online Resource
    Online Resource
    Microwave Spectrum, Dipole Moment, and Structure of Difluorosilane
    AIP Publishing ; 1957
    In:  The Journal of Chemical Physics Vol. 26, No. 6 ( 1957-06-01), p. 1359-1362
    Details
    In: The Journal of Chemical Physics, AIP Publishing, Vol. 26, No. 6 ( 1957-06-01), p. 1359-1362
    Abstract: The microwave spectra of several isotopic species of difluorosilane, SiH2F2, have been investigated in the region from 12 000 to 38 000 mc. Rotational constants have been determined and the following structural parameters calculated for SiH2F2: rSiH=1.471±0.007 A, rSiF=1.5767±0.001 A, ∠HSiH=112°1′±30′, ∠FSiF=107°56′±6′. An independent determination of the structure of SiD2F2 was also carried out with the following results: rSiD=1.469±0.010 A, rSiF=1.5764±0.001 A, ∠DSiD=113°11′±45′, ∠FSiF=107°57′±10′. Rotational constants for the vibrationally excited state ν4 have been determined for both SiH2F2 and SiD2F2, and certain structural parameters determined. The variation of effective structure upon isotopic substitution is discussed. Measurements on the Stark effect of the ground vibrational state of SiH2F2 give a value of 1.54±0.02D for the dipole moment. Values for the excited state v4=1 and for SiD2F2 were also measured and agree within the experimental error with the SiH2F2 ground-state value.
    Type of Medium: Online Resource
    ISSN: 0021-9606 , 1089-7690
    URL: Article
    DOI: 10.1063/1.1743546
    Language: English
    Publisher: AIP Publishing
    Publication Date: 1957
    detail.hit.zdb_id: 3113-6
    detail.hit.zdb_id: 1473050-9
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  • 7
    Online Resource
    Online Resource
    Microwave Spectrum of Methyl Germane
    AIP Publishing ; 1959
    In:  The Journal of Chemical Physics Vol. 30, No. 5 ( 1959-05-01), p. 1210-1214
    Details
    In: The Journal of Chemical Physics, AIP Publishing, Vol. 30, No. 5 ( 1959-05-01), p. 1210-1214
    Abstract: The J=0→1 and 1→2 transitions of 28 isotopic species of CH3GeH3 have been measured. From the rotational constants obtained, the following structural parameters have been calculated: rCH=1.083±0.005 A°, rGeH=1.529±0.005 A°, rCGe=1.9453±0.0005 A°, ≰HCH=108°25′±30′, ≰HGeH=109°15′±30′. The K=1 transitions of the asymmetrically deuterated species are split by internal rotation about the C–Ge bond. Withthe assumption of a threefold sinusoidal potential, an internal barrier of 1239±25 cal/mole has been determined from these splittings. Analysis of the Stark effect of several species gives a dipole moment of 0.635±0.006 D. From observed hyperfine structure the nuclear quadrupole coupling constant of Ge73 has been calculated to be +3 Mc.
    Type of Medium: Online Resource
    ISSN: 0021-9606 , 1089-7690
    URL: Article
    DOI: 10.1063/1.1730158
    Language: English
    Publisher: AIP Publishing
    Publication Date: 1959
    detail.hit.zdb_id: 3113-6
    detail.hit.zdb_id: 1473050-9
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