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  • 1965-1969  (11)
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  • 1965-1969  (11)
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  • 1
    Online Resource
    Online Resource
    Microwave Spectrum, Ring-Puckering Potential Function, and Dipole Moment of Methylenecyclobutane
    AIP Publishing ; 1968
    In:  The Journal of Chemical Physics Vol. 49, No. 7 ( 1968-10-01), p. 3041-3049
    Details
    In: The Journal of Chemical Physics, AIP Publishing, Vol. 49, No. 7 ( 1968-10-01), p. 3041-3049
    Abstract: 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).
    Type of Medium: Online Resource
    ISSN: 0021-9606 , 1089-7690
    URL: Article
    DOI: 10.1063/1.1670547
    Language: English
    Publisher: AIP Publishing
    Publication Date: 1968
    detail.hit.zdb_id: 3113-6
    detail.hit.zdb_id: 1473050-9
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  • 2
    Online Resource
    Online Resource
    Electron Magnetic Resonance Spectrum and Magnetic Susceptibility of K4MnCl6 from 1.4° to 300°K
    AIP Publishing ; 1968
    In:  The Journal of Chemical Physics Vol. 49, No. 10 ( 1968-11-15), p. 4407-4411
    Details
    In: The Journal of Chemical Physics, AIP Publishing, Vol. 49, No. 10 ( 1968-11-15), p. 4407-4411
    Abstract: The electron magnetic resonance spectrum and magnetic susceptibility of polycrystalline K4MnCl6 have been investigated over the temperature range from 1.4° to 300°K. The susceptibility follows a Curie–Weiss behavior above 95°K with a Weiss constant θ of −7.8°K. Between 13° and 80°K, a Curie–Weiss behavior is still observed but with a θ value of −6.0°K, different than that observed in the higher temperature range. Coinciding with the susceptibility change is a resonance linewidth change from 23 G above 90°K to approximately 175 G below 70°K. The origin of these changes is not known. No evidence for a transition to a magnetically ordered state has been observed, even down to 1.4°K. Comparison of experimental and theoretical resonance linewidths suggest that the dominant superexchange interaction involves next-nearest-neighbor Mn2+ ions. This interaction is conveyed by two intervening Cl− ions. The exchange integral for the next-nearest-neighbor interaction is estimated to be 0.22°K. Results suggest that there is approximately a 0.8% probability for transfer of an electron from a Cl− ion to a Mn2+ ion.
    Type of Medium: Online Resource
    ISSN: 0021-9606 , 1089-7690
    URL: Article
    DOI: 10.1063/1.1669891
    Language: English
    Publisher: AIP Publishing
    Publication Date: 1968
    detail.hit.zdb_id: 3113-6
    detail.hit.zdb_id: 1473050-9
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  • 3
    Online Resource
    Online Resource
    Structure and Conformation of Trimethylamine
    AIP Publishing ; 1969
    In:  The Journal of Chemical Physics Vol. 51, No. 4 ( 1969-08-15), p. 1580-1583
    Details
    In: The Journal of Chemical Physics, AIP Publishing, Vol. 51, No. 4 ( 1969-08-15), p. 1580-1583
    Abstract: The ground-state rotational spectra of (CH2D) (CH3)2N, (CH3)315N, and (13CH3) (CH3)2N have been assigned yielding the effective moments of inertia. This information has been combined with that for (CH3)3N to give the following structural parameters: r(CN) = 1.451 ± 0.003 Å, r(CHs) = 1.109 ± 0.008 Å, r(CHa) = 1.088 ± 0.008 Å, ∢CNC = 110.9° ± 0.6°, ∢NCHs = 111.7° ± 0.4°, ∢NCHa = 110.1° ± 0.5°, ∢HaCHs = 108.1° ± 0.7°, ∢HaCHa = 108.6° ± 0.8°, where Hs lies in a symmetry plane. A C3υ equilibrium conformation has been established and the methyl groups appear to be tilted by 1.3° toward the unshared electron pair.
    Type of Medium: Online Resource
    ISSN: 0021-9606 , 1089-7690
    URL: Article
    DOI: 10.1063/1.1672214
    Language: English
    Publisher: AIP Publishing
    Publication Date: 1969
    detail.hit.zdb_id: 3113-6
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  • 4
    Online Resource
    Online Resource
    Microwave Spectrum of Germacyclopentane
    AIP Publishing ; 1969
    In:  The Journal of Chemical Physics Vol. 51, No. 10 ( 1969-11-15), p. 4327-4330
    Details
    In: The Journal of Chemical Physics, AIP Publishing, Vol. 51, No. 10 ( 1969-11-15), p. 4327-4330
    Abstract: The microwave spectrum of four Ge isotopic species of the five-membered heterocycle germacyclopentane (C4H10Ge) has been investigated in the region 8–22 GHz. Rotational constants for the ground state of the 74Ge species are: A = 5323.7, B = 2842.20, C = 2041.52 MHz. From excited states assigned to the lowest ring-deformation mode, a lower limit of about 500 cm−1 has been estimated for the barrier to pseudorotation. The molecule is found to be permanently twisted into a C2 conformation with a twist angle of 18°, and ∠CGeC = 98°, ∠GeCC = 106°, and ∠CCC = 115°. Stark-effect measurements give a dipole moment of 0.665 ± 0.007 D. For the 73Ge species, the nuclear quadrupole coupling constants are found to be χaa = 15.89 MHz, χbb = −10.29 MHz, χcc = −5.60 MHz.
    Type of Medium: Online Resource
    ISSN: 0021-9606 , 1089-7690
    URL: Article
    DOI: 10.1063/1.1671796
    Language: English
    Publisher: AIP Publishing
    Publication Date: 1969
    detail.hit.zdb_id: 3113-6
    detail.hit.zdb_id: 1473050-9
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  • 5
    Online Resource
    Online Resource
    Structure of Cyclopentadiene
    AIP Publishing ; 1965
    In:  The Journal of Chemical Physics Vol. 43, No. 8 ( 1965-10-15), p. 2765-2766
    Details
    In: The Journal of Chemical Physics, AIP Publishing, Vol. 43, No. 8 ( 1965-10-15), p. 2765-2766
    Abstract: The microwave spectra of the three monosubstituted 13C species of cyclopentadiene have been investigated. The effective rotational constants of these species together with those of the main isotopic species give the structural parameters for the ring. Labeling the methylene carbon as C1 and numbering the other carbons sequentially we obtain: r(C1C2)=1.509 Å, r(C2C3)=1.342 Å, r(C3C4)=1.469 Å, ∠C1C2C3=109.3°, ∠C2C3C4=109.4°, ∠C2C1C5=102.8°.
    Type of Medium: Online Resource
    ISSN: 0021-9606 , 1089-7690
    URL: Article
    DOI: 10.1063/1.1697207
    Language: English
    Publisher: AIP Publishing
    Publication Date: 1965
    detail.hit.zdb_id: 3113-6
    detail.hit.zdb_id: 1473050-9
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  • 6
    Online Resource
    Online Resource
    Microwave Spectrum, Ring-Puckering Potential Function, Ring Structure, and Dipole Moment of Cyclobutanone
    AIP Publishing ; 1968
    In:  The Journal of Chemical Physics Vol. 49, No. 1 ( 1968-07-01), p. 221-228
    Details
    In: The Journal of Chemical Physics, AIP Publishing, Vol. 49, No. 1 ( 1968-07-01), p. 221-228
    Abstract: The microwave spectrum of cyclobutanone in the ground state and the first 10 excited states of the ring-puckering vibration has been assigned. Most features of the observed variation of rotational constants with ring-puckering state and of the far-infrared spectrum are accounted for with the ring-puckering potential function V(Z) = ν0[12Z2 + 0.4918Z4 + 1.598 exp(−1.0Z2)], with ν0 = 29.85 cm−1. Z is a dimensionless coordinate for the ring-puckering motion. A barrier of 7.6 ± 2 cm− exists at the planar ring conformation; with the υ = 0 level lying 9.2 cm−1 above the top of the barrier. A perturbation of the υ = 8 state is discussed. The ground-state rotational spectra of the three 13C monosubstituted species have also been assigned and the structure of the ring determined. With the carbonyl carbon labeled C1 and other carbons numbered sequentially around the ring, the ring structural parameters are r(C1C2) = 1.527 + 0.003 Å, r(C2C3) = 1.556 ± 0.001 Å, ∠C2C1C2′ = 93.1 ± 0.3°, ∠C1C2C3 = 88.0 ± 0.3°, ∠C2C3C2′ = 90.9 ± 0.2°. Stark-effect measurements have yielded a value of 2.89 ± 0.03 D for the dipole moment of the common isotopic species in the ground vibrational state.
    Type of Medium: Online Resource
    ISSN: 0021-9606 , 1089-7690
    URL: Article
    DOI: 10.1063/1.1669813
    Language: English
    Publisher: AIP Publishing
    Publication Date: 1968
    detail.hit.zdb_id: 3113-6
    detail.hit.zdb_id: 1473050-9
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  • 7
    Online Resource
    Online Resource
    Microwave Spectrum of Germylacetylene
    AIP Publishing ; 1966
    In:  The Journal of Chemical Physics Vol. 44, No. 7 ( 1966-04-01), p. 2602-2604
    Details
    In: The Journal of Chemical Physics, AIP Publishing, Vol. 44, No. 7 ( 1966-04-01), p. 2602-2604
    Abstract: The microwave spectrum of germylacetylene has been investigated in the region 7–36 Gc/sec. The rotational constants for the isotopic species 76GeH312C≡12CH, 74GeH312C≡12CH, 73GeH312C≡12CH, 72GeH312C≡12CH, 70GeH312C≡12CH, 74GeH313C≡12CH, 74GeH312C≡13CH, 72GeH313C≡12CH, 72GeH312C≡13CH have been determined to be 3553.78, 3572.40, 3582.04, 3591.97, 3612.55, 3531.69, 3423.48, 3551.60, 3442.89 Mc/sec, respectively. From these data the structural parameters rGeC=1.896 Å and rCC=1.208 Å are determined. If rCH is assumed to be 1.056 Å, then rGeH=1.521 Å and ∠HGeH=109.9°. Measurement of the Stark effect leads to a dipole moment of 0.136 D. Analysis of the hyperfine components of 73Ge transitions leads to a nuclear quadrupole coupling constant eQq of +32.5 Mc/sec.
    Type of Medium: Online Resource
    ISSN: 0021-9606 , 1089-7690
    URL: Article
    DOI: 10.1063/1.1727099
    Language: English
    Publisher: AIP Publishing
    Publication Date: 1966
    detail.hit.zdb_id: 3113-6
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  • 8
    Online Resource
    Online Resource
    Electron Magnetic Resonance and Electronic Spectra of Tetrachloroferrate(III) Ion in Nonaqueous Solution 1
    American Chemical Society (ACS) ; 1965
    In:  The Journal of Physical Chemistry Vol. 69, No. 1 ( 1965-01), p. 244-250
    Details
    In: The Journal of Physical Chemistry, American Chemical Society (ACS), Vol. 69, No. 1 ( 1965-01), p. 244-250
    Type of Medium: Online Resource
    ISSN: 0022-3654 , 1541-5740
    URL: Article
    DOI: 10.1021/j100885a036
    RVK:
    VA 5430
    Language: English
    Publisher: American Chemical Society (ACS)
    Publication Date: 1965
    detail.hit.zdb_id: 2006064-6
    detail.hit.zdb_id: 3003-X
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  • 9
    Online Resource
    Online Resource
    Microwave Spectrum of Dimethylgermane
    AIP Publishing ; 1969
    In:  The Journal of Chemical Physics Vol. 50, No. 8 ( 1969-04-15), p. 3512-3515
    Details
    In: The Journal of Chemical Physics, AIP Publishing, Vol. 50, No. 8 ( 1969-04-15), p. 3512-3515
    Abstract: The rotational spectrum of the five Ge isotopic species of dimethylgermane has been investigated in the region 8–35 GHz. All identified transitions were split into quartets by the internal rotation of the methyl groups. From the splittings a barrier V3 = 1182 cal/mole has been determined. Rotational constants for the A1A1 ground torsional state of the 74Ge species are A = 12 522.67 MHz, B = 5587.68 MHz, and C = 4264.57 MHz. No hyperfine structure due to the quadrupole moment of 73Ge was resolved giving upper limits | χaa |  & lt; 3.0 MHz, | χbb |  & lt; 3.6 MHz. Stark-effect measurements gave a dipole moment of 0.616 D. With assumption of the methyl-group dimensions, structural parameters for the heavy atoms were calculated to be: rCH = 1.083 Å (assumed), ∠HCH = 108.5° (assumed), rCGe = 1.950 ± 0.003 Å, ∠CGeC = 110.0 ± 0.5°. No tilt of the methyl groups was detected.
    Type of Medium: Online Resource
    ISSN: 0021-9606 , 1089-7690
    URL: Article
    DOI: 10.1063/1.1671576
    Language: English
    Publisher: AIP Publishing
    Publication Date: 1969
    detail.hit.zdb_id: 3113-6
    detail.hit.zdb_id: 1473050-9
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  • 10
    Online Resource
    Online Resource
    Microwave Spectrum of Dimethylamine
    AIP Publishing ; 1968
    In:  The Journal of Chemical Physics Vol. 48, No. 11 ( 1968-06-01), p. 5058-5066
    Details
    In: The Journal of Chemical Physics, AIP Publishing, Vol. 48, No. 11 ( 1968-06-01), p. 5058-5066
    Abstract: Microwave spectra of 12 isotopic species of dimethylamine have been assigned for the ground vibrational state. Splittings arising from the inversion of the amino hydrogen have been observed and an inversion barrier of 4.4 kcal/mole has been estimated. From the rotational constants the structural parameters have been calculated and the conformation of the methyl groups has been determined. The structural parameters obtained are: r(CN) = 1.466 Å, r(NH) = 1.022 Å, r(CH) (average) = 1.09 Å, ∠CNC = 112.2°, ∠HCH (average) = 108.6°, ∠HNC = 108.8°. Evidence for an asymmetric methyl group is discussed. The 14N nuclear quadrupole coupling constants in the principal quadrupole axis system are χxx = 3.04 MHz, χyy = 2.01 MHz, and χzz = −5.05 MHz, where the x axis is normal to the symmetry plane. Analysis of the Stark effect gave a dipole moment of 1.01 D.
    Type of Medium: Online Resource
    ISSN: 0021-9606 , 1089-7690
    URL: Article
    DOI: 10.1063/1.1668177
    Language: English
    Publisher: AIP Publishing
    Publication Date: 1968
    detail.hit.zdb_id: 3113-6
    detail.hit.zdb_id: 1473050-9
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