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  • 1
    Online-Ressource
    Online-Ressource
    Elsevier BV ; 1976
    In:  Journal of Molecular Spectroscopy Vol. 60, No. 1-3 ( 1976-3), p. 188-196
    In: Journal of Molecular Spectroscopy, Elsevier BV, Vol. 60, No. 1-3 ( 1976-3), p. 188-196
    Materialart: Online-Ressource
    ISSN: 0022-2852
    Sprache: Englisch
    Verlag: Elsevier BV
    Publikationsdatum: 1976
    ZDB Id: 1469771-3
    SSG: 11
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  • 2
    Online-Ressource
    Online-Ressource
    Elsevier BV ; 1963
    In:  Journal of Molecular Spectroscopy Vol. 10, No. 1-6 ( 1963-1), p. 155-160
    In: Journal of Molecular Spectroscopy, Elsevier BV, Vol. 10, No. 1-6 ( 1963-1), p. 155-160
    Materialart: Online-Ressource
    ISSN: 0022-2852
    Sprache: Englisch
    Verlag: Elsevier BV
    Publikationsdatum: 1963
    ZDB Id: 1469771-3
    SSG: 11
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  • 3
    Online-Ressource
    Online-Ressource
    AIP Publishing ; 1968
    In:  The Journal of Chemical Physics Vol. 49, No. 7 ( 1968-10-01), p. 3041-3049
    In: The Journal of Chemical Physics, AIP Publishing, Vol. 49, No. 7 ( 1968-10-01), p. 3041-3049
    Kurzfassung: The microwave spectra of methylenecyclobutane in the ground state and in the first six excited states of the ring-puckering vibration have been assigned. The υ = 0 state and υ = 1 state are very close in energy and are strongly coupled giving rise to nonrigid-rotor spectra. Analysis shows the energy difference to be 33 592 MHz. This energy difference together with the vibrational dependence of the rotational constants gives the ring-puckering potential function to be 7.65(X4 − 9.15X2) cm−1 where X is a reduced ring-puckering coordinate. This potential function contains a barrier to ring inversion of 160 ± 40 cm−1. The a component of the dipole moment is found to be 0.514 D in the ground state and to have the ring-puckering vibrational dependence μa = 0.496 + 0.0051 〈X2〉υυ (debye).
    Materialart: Online-Ressource
    ISSN: 0021-9606 , 1089-7690
    Sprache: Englisch
    Verlag: AIP Publishing
    Publikationsdatum: 1968
    ZDB Id: 3113-6
    ZDB Id: 1473050-9
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  • 4
    Online-Ressource
    Online-Ressource
    AIP Publishing ; 1959
    In:  The Journal of Chemical Physics Vol. 30, No. 4 ( 1959-04-01), p. 1101-1102
    In: The Journal of Chemical Physics, AIP Publishing, Vol. 30, No. 4 ( 1959-04-01), p. 1101-1102
    Materialart: Online-Ressource
    ISSN: 0021-9606 , 1089-7690
    Sprache: Englisch
    Verlag: AIP Publishing
    Publikationsdatum: 1959
    ZDB Id: 3113-6
    ZDB Id: 1473050-9
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  • 5
    Online-Ressource
    Online-Ressource
    AIP Publishing ; 1961
    In:  The Journal of Chemical Physics Vol. 35, No. 2 ( 1961-08-01), p. 458-464
    In: The Journal of Chemical Physics, AIP Publishing, Vol. 35, No. 2 ( 1961-08-01), p. 458-464
    Kurzfassung: Empirical study of cubic and quartic vibrational force constants for diatomic molecules shows them to be approximately exponential functions of internuclear distance. A family of curves is obtained, determined by the location of the bonded atoms in rows of the periodic table. Displacements between successive curves correspond closely to those in Badger's rule for quadratic force constants (for which the parameters are redetermined to accord with all data now available). Constants for excited electronic and ionic states appear on practically the same curves as those for the ground states. Predictions based on the diatomic correlations agree with the available cubic constants for bond stretching in polyatomic molecules, regardless of the type of bonding involved. Some implications of these regularities are discussed.
    Materialart: Online-Ressource
    ISSN: 0021-9606 , 1089-7690
    Sprache: Englisch
    Verlag: AIP Publishing
    Publikationsdatum: 1961
    ZDB Id: 3113-6
    ZDB Id: 1473050-9
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  • 6
    Online-Ressource
    Online-Ressource
    AIP Publishing ; 1956
    In:  The Journal of Chemical Physics Vol. 24, No. 3 ( 1956-03-01), p. 635-636
    In: The Journal of Chemical Physics, AIP Publishing, Vol. 24, No. 3 ( 1956-03-01), p. 635-636
    Materialart: Online-Ressource
    ISSN: 0021-9606 , 1089-7690
    Sprache: Englisch
    Verlag: AIP Publishing
    Publikationsdatum: 1956
    ZDB Id: 3113-6
    ZDB Id: 1473050-9
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  • 7
    Online-Ressource
    Online-Ressource
    AIP Publishing ; 1962
    In:  The Journal of Chemical Physics Vol. 37, No. 8 ( 1962-10-15), p. 1668-1686
    In: The Journal of Chemical Physics, AIP Publishing, Vol. 37, No. 8 ( 1962-10-15), p. 1668-1686
    Kurzfassung: The structure of a polyatomic molecule derived from observed spectroscopic moments of inertia differs appreciably from both the equilibrium structure and the zero-point average structure. A perturbation expansion of the moments of inertia is derived here in a form which allows the vibrational displacements to be referred to any fixed configuration of the atoms as origin. A method for evaluating the expansion coefficients is given which proceeds ``atom by atom.'' Linear WXYZ, branched WXYZ, and symmetric WXY3 molecules are treated in detail. Empirical data show that the anharmonicity of the vibrations gives rise to the most important of the corrections required to obtain the equilibrium structure. Except for a few molecules, the anharmonicity is not accurately known. It is shown, however, that to a practical approximation the anharmonic contributions are completely absorbed in displacing the average configuration from the equilibrium one. Therefore the moments of inertia for the zero-point average configuration of a molecule can be derived from the observed effective moments by applying corrections which depend only upon the harmonic part of the vibrational potential.
    Materialart: Online-Ressource
    ISSN: 0021-9606 , 1089-7690
    Sprache: Englisch
    Verlag: AIP Publishing
    Publikationsdatum: 1962
    ZDB Id: 3113-6
    ZDB Id: 1473050-9
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  • 8
    Online-Ressource
    Online-Ressource
    AIP Publishing ; 1959
    In:  The Journal of Chemical Physics Vol. 31, No. 4 ( 1959-10-01), p. 939-943
    In: The Journal of Chemical Physics, AIP Publishing, Vol. 31, No. 4 ( 1959-10-01), p. 939-943
    Kurzfassung: 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.
    Materialart: Online-Ressource
    ISSN: 0021-9606 , 1089-7690
    Sprache: Englisch
    Verlag: AIP Publishing
    Publikationsdatum: 1959
    ZDB Id: 3113-6
    ZDB Id: 1473050-9
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  • 9
    Online-Ressource
    Online-Ressource
    AIP Publishing ; 1959
    In:  The Journal of Chemical Physics Vol. 31, No. 6 ( 1959-12-01), p. 1500-1505
    In: The Journal of Chemical Physics, AIP Publishing, Vol. 31, No. 6 ( 1959-12-01), p. 1500-1505
    Kurzfassung: 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.
    Materialart: Online-Ressource
    ISSN: 0021-9606 , 1089-7690
    Sprache: Englisch
    Verlag: AIP Publishing
    Publikationsdatum: 1959
    ZDB Id: 3113-6
    ZDB Id: 1473050-9
    Standort Signatur Einschränkungen Verfügbarkeit
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  • 10
    Online-Ressource
    Online-Ressource
    AIP Publishing ; 1975
    In:  The Journal of Chemical Physics Vol. 62, No. 6 ( 1975-03-15), p. 2469-2473
    In: The Journal of Chemical Physics, AIP Publishing, Vol. 62, No. 6 ( 1975-03-15), p. 2469-2473
    Kurzfassung: The microwave spectra of five isotopic species of 1,1−diffluorocyclopropane have been studied in the region 18−40 GHz. Structural parameters were obtained: r (C1C2) = 1.464±0.002 Å, r (C2C2′) = 1.553±0.001 Å, r (CF) = 1.355±0.002 Å, r (CH) = 1.082±0.002 Å, & FCF = 108.4±0.2°, & C2C1C2′ = 64.1±0.1°, & HCH = 116.9±0.2°. The dipole moment has been determined to be 2.32±0.02 D. Rotational transitions belonging to a vibrational state of A symmetry at about 327 cm−1 and to a vibrational state of B symmetry at about 351 cm−1 have also been observed.
    Materialart: Online-Ressource
    ISSN: 0021-9606 , 1089-7690
    Sprache: Englisch
    Verlag: AIP Publishing
    Publikationsdatum: 1975
    ZDB Id: 3113-6
    ZDB Id: 1473050-9
    Standort Signatur Einschränkungen Verfügbarkeit
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