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  • 1
    Digitale Medien
    Digitale Medien
    The microwave spectrum, spin-rotation coupling constants, and structure of thiocarbonyl fluoride, SCF2, observed with a cavity microwave Fourier transform spectrometer (1992)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 97 (1992), S. 3931-3939 
    Details
    ISSN: 1089-7690
    Quelle: AIP Digital Archive
    Thema: Physik , Chemie und Pharmazie
    Notizen: The microwave spectrum of thiocarbonyl fluoride, SCF2, has been investigated in the frequency range of 6.7–18.4 GHz using a pulsed molecular-beam microwave Fourier transform spectrometer. Twelve a-type transitions of the 32S12C19F2 isotopomer with J between 0 and 9, including ΔKa=2 transitions, as well as eight transitions of the 34S12C19F2 isotopomer with J between 0 and 9, have been assigned. The rotational constants and quartic centrifugal distortion constants have been determined. A 19F nuclear spin-rotation interaction, as well as a rather large direct 19F nuclear spin–spin interaction, have been observed. The three diagonal elements of the spin-rotation tensor at the 19F nuclei have been determined to be Maa=22.9(9) kHz, Mbb=10.4(4) kHz, and Mcc=5.4(3) kHz for 32S12C19F2 and Maa=20.9(9) kHz, Mbb=10.7(4) kHz, Mcc=6.4(4) kHz for 34S12C19F2, respectively. For 32S13C19F2, seven transitions with J between 0 and 6 have been assigned and rotational constants and two quartic centrifugal distortion constants have been derived. The splitting patterns due to the two 19F nuclei and the 13C nucleus have been observed but not completely resolved. A ground-state average structure has been determined for 32S12C19F2 as rz(CS)=1.5870(20) A(ring), rz(CF)=1.3182(13) A(ring), and (arc left)(FCF)=106.89(11)°.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1063/1.462932
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  • 2
    Digitale Medien
    Digitale Medien
    Pure rotational spectra of the mixed rare gas van der Waals complexes Ne–Xe, Ar–Xe, and Kr–Xe (1993)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 99 (1993), S. 919-927 
    Details
    ISSN: 1089-7690
    Quelle: AIP Digital Archive
    Thema: Physik , Chemie und Pharmazie
    Notizen: Pure rotational transitions in the vibrational ground states of various isotopomers of the heteronuclear rare gas dimers Ne–Xe, Ar–Xe, and Kr–Xe have been measured using a pulsed molecular beam cavity microwave Fourier transform spectrometer. Rotational and centrifugal distortion constants have been obtained, and have yielded estimates of the lengths of the van der Waals bonds and of their harmonic vibration frequencies. Effects due to nuclear quadrupole coupling have been observed in 131Xe-containing complexes and have yielded the corresponding nuclear quadrupole coupling constants. The electric molecular dipole moments of the complexes have been estimated from the excitation pulse lengths, optimized for maximum signal strength (π/2 condition).
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1063/1.465356
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  • 3
    Digitale Medien
    Digitale Medien
    The microwave spectrum, structure, and harmonic force field of the van der Waals trimer Ar2–OCS (1993)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 98 (1993), S. 2735-2741 
    Details
    ISSN: 1089-7690
    Quelle: AIP Digital Archive
    Thema: Physik , Chemie und Pharmazie
    Notizen: The microwave rotational spectra of the van der Waals trimers Ar2–OCS, Ar2–OC34S, and Ar2–18OCS have been observed between 7.0 and 18.0 GHz using pulsed molecular beam microwave Fourier transform (MWFT) spectroscopy. Sixty-five transitions, both a and c type, have been assigned for Ar2–OCS, as well as 37 transitions and 19 transitions for Ar2–OC34S and Ar2–18OCS, respectively. The rotational constants and quartic centrifugal distortion constants have been determined. The trimer has been found to be a distorted tetrahedrally shaped highly asymmetric top (κ=∼0.377) with the OCS subunit lying in the Cs symmetry plane. An effective ground state structure has been determined. The Ar–Ar distance and the two "Ar–center of mass of OCS'' distances are slightly longer than those in the corresponding dimers Ar2 and Ar–OCS, respectively. A harmonic force field analysis has been performed on the basis of the centrifugal distortion constants, to predict the van der Waals force constants and the corresponding vibrational frequencies. The Ar–Ar stretch force constant of the trimer is 0.008 42 mdyn A(ring)−1, which compares favorably with 0.0078 mdyn A(ring)−1 reported for the free dimer Ar2. A comparison of the geometry and spectroscopic properties of Ar2–OCS with those of Ar2 and of the Ar2–HX (X=F, Cl, CN) trimers is given.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1063/1.464155
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  • 4
    Digitale Medien
    Digitale Medien
    The microwave rotational spectrum of the van der Waals complex Kr–N2 (1993)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 99 (1993), S. 7510-7520 
    Details
    ISSN: 1089-7690
    Quelle: AIP Digital Archive
    Thema: Physik , Chemie und Pharmazie
    Notizen: Pure rotational transitions in the vibrational ground state of the van der Waals complex Kr–N2 have been measured using a cavity microwave Fourier transform spectrometer. For the isotopomers 84Kr–14N2, 86Kr–14N2, 84Kr–15N2, 86Kr–15N2, 82Kr–15N2, and 83Kr–15N2 a-type transitions with Ka=0 and 1 have been measured, confirming a C2v symmetry of the complex. A value for the 14N nuclear quadrupole coupling constant in free nitrogen 14N2 has been estimated from an analysis of the nuclear hyperfine structure in complexes of 14N2. 15N spin–rotation hyperfine structure could be observed and analyzed in the 21,2–11,1 and 21,1–11,0 rotational transitions of 84Kr–15N2. Rotational transitions of 83Kr–15N2 showed a nuclear hyperfine splitting due to 83Kr with nuclear spin 9/2 which has been attributed to the weak bonding with 15N2. For 84Kr–14N15N and 86Kr–14N15N, only transitions involving energy levels with Ka=0 have been found.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1063/1.465681
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  • 5
    Digitale Medien
    Digitale Medien
    Rotational spectrum, structure, and chlorine nuclear quadrupole coupling constants of the van der Waals complex Ar–Cl2 (1993)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 98 (1993), S. 3726-3731 
    Details
    ISSN: 1089-7690
    Quelle: AIP Digital Archive
    Thema: Physik , Chemie und Pharmazie
    Notizen: The pure rotational spectrum of the van der Waals complex Ar–Cl2 has been observed between 5 and 14 GHz using a Balle–Flygare type pulsed molecular beam microwave Fourier transform spectrometer. Ten a-type rotational transitions of Ar–35Cl2, as well as five a-type rotational transitions of the mixed isotopomer Ar–35Cl37Cl, have been assigned. The rotational constants and quartic centrifugal distortion constants have been determined. Unlike its isovalent linear isomer Ar–ClF, Ar–Cl2 has been found to be a T-shaped complex. This confirms the result from electronic spectroscopy and is in accord with the atom–atom additive model. The distance from the Ar nucleus to the center of mass of the Cl2 subunit has been calculated to be 3.7190 A(ring) for Ar–35Cl2 and 3.7184 A(ring) for Ar–35Cl37Cl, respectively. The van der Waals stretch and bend force constants, as well as their corresponding harmonic vibrational frequencies, have been derived and compared with the theoretically predicted values. The nuclear hyperfine splittings due to the two chlorine nuclei have been resolved and the coupling constants have been accurately determined. For 35Cl these are (in MHz): χaa=54.8180(16), χbb=−110.7131(19), χcc=55.8951(19) in Ar–35Cl2; and χaa=54.8407(27), χbb=−110.706(20), χcc=55.866(20) in Ar–35Cl37Cl. For 37Cl the values are χaa=43.2111(29), χbb=−87.267(12), χcc=44.056(12) in Ar–35Cl37Cl. A value has been obtained for the nuclear quadrupole coupling constant in free diatomic chlorine.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1063/1.464050
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  • 6
    Digitale Medien
    Digitale Medien
    Microwave-submillimeter wave double-resonance spectrometer for the investigation of van der Waals complexes (1998)
    [S.l.] : American Institute of Physics (AIP)
    Review of Scientific Instruments 69 (1998), S. 4061-4067 
    Details
    ISSN: 1089-7623
    Quelle: AIP Digital Archive
    Thema: Physik , Elektrotechnik, Elektronik, Nachrichtentechnik
    Notizen: A double-resonance spectrometer, suitable for the investigation of low lying intermolecular vibrational modes and of tunneling transitions of van der Waals complexes, is described. The instrument utilizes a pulsed molecular beam Fourier transform microwave spectrometer (frequency range 4–26 GHz) for signal detection, and a high frequency, phase stabilized, backward wave oscillator (258–375 GHz), as well as a millimeter wave synthesizer (78–118 GHz), as pump radiation sources. A brief description of the Fourier transform microwave spectrometer and of the phase stabilization system of the backward wave oscillator is given. The experimental arrangement is such that the molecular ensemble travels through the submillimeter radiation field prior to the pulsed excitation microwave experiment, in which the resulting population changes are detected. The sensitivity and the resolution capabilities of the new technique are illustrated with double resonance spectra of the van der Waals complexes Ar–CO and CO–N2. © 1998 American Institute of Physics.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1063/1.1149251
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  • 7
    Digitale Medien
    Digitale Medien
    Rotational spectra of the mixed rare gas dimers Ne–Kr and Ar–Kr (1995)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 103 (1995), S. 2827-2833 
    Details
    ISSN: 1089-7690
    Quelle: AIP Digital Archive
    Thema: Physik , Chemie und Pharmazie
    Notizen: Pure rotational spectra of several isotopomeric species of the rare gas dimers Ne–Kr and Ar–Kr have been measured using a pulsed jet cavity microwave Fourier transform spectrometer. Equilibrium internuclear distances have been evaluated by taking advantage of the isotopic data, for both these dimers and three Xe-containing dimers, whose spectra were reported earlier [Jäger et al., J. Chem. Phys. 99, 919 (1993)]. The dipole moments have been estimated using the "π/2-pulse'' excitation condition. 83Kr nuclear quadrupole hyperfine structure has been observed in some rotational transitions of 20Ne–83Kr and of Ar–83Kr, and the corresponding quadrupole coupling constants have been derived. © 1995 American Institute of Physics.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1063/1.470518
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  • 8
    Digitale Medien
    Digitale Medien
    Microwave spectroscopic investigation of the mixed rare gas van der Waals trimers Ne2–Kr and Ne2–Xe (1994)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 100 (1994), S. 4171-4180 
    Details
    ISSN: 1089-7690
    Quelle: AIP Digital Archive
    Thema: Physik , Chemie und Pharmazie
    Notizen: Pure rotational spectra of six isotopomers of the rare gas trimer Ne2–Kr and five isotopomers of the trimer Ne2–Xe have been measured in their ground vibrational states using a Balle–Flygare-type cavity pulsed microwave Fourier transform spectrometer. Rotational constants have been evaluated, from which the geometries of the complexes have been derived. In the case of Ne2–Kr it has been possible to obtain centrifugal distortion constants and to carry out a force field analysis. The magnitudes of the induced dipole moments of these trimers have been estimated from the "π/2 condition.'' The nuclear quadrupole hyperfine patterns due to 83Kr and 131Xe have been resolved, and the corresponding quadrupole coupling constants have been obtained. Observation of the spectra of these fundamental trimers has made it possible to compare their properties to those of their constituent rare gas dimers. The effects of three-body nonpairwise additive forces have been discussed in light of the structures obtained, the estimated induced dipole moments, and the nuclear quadrupole coupling constants.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1063/1.466301
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  • 9
    Digitale Medien
    Digitale Medien
    Microwave spectroscopic investigation of the weakly bound dimer carbon monoxide-chlorine (OCCl2) (1993)
    s.l. : American Chemical Society
    The @journal of physical chemistry 〈Washington, DC〉 97 (1993), S. 3685-3689 
    Details
    Quelle: ACS Legacy Archives
    Thema: Chemie und Pharmazie , Physik
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1021/j100117a009
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  • 10
    Digitale Medien
    Digitale Medien
    The dynamics of the CO–N2 interaction: Strong Coriolis coupling in CO-paraN2 (2000)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 113 (2000), S. 514-524 
    Details
    ISSN: 1089-7690
    Quelle: AIP Digital Archive
    Thema: Physik , Chemie und Pharmazie
    Notizen: Rotational and ro-vibrational spectra of the paraN2 species of the CO–N2 complex were measured with a pulsed molecular beam Fourier transform microwave spectrometer in the frequency region from 4 to 26 GHz. a-type rotational transitions within the relatively unperturbed upper K=1 levels of CO-paraN2, previously studied in the infrared region by Xu and McKellar [J. Chem. Phys. 104, 2488 (1996)], were observed and analyzed. Two new states, namely the K=0 levels of the first excited van der Waals vibrational N2 bending state and the lower K=1 levels of the ground vibrational state of CO-paraN2, were investigated. Both a-type rotational transitions within these two stacks and b-type ro-vibrational transitions connecting these two stacks were detected. A strong Coriolis interaction between these two new states was studied in detail. Nuclear quadrupole hyperfine splittings due to the presence of two equivalent 14N nuclei were resolved and analyzed to give additional information about the angular anisotropy of the interaction potential energy surface. In addition, rotational and ro-vibrational spectra of the paraN2 species of two minor isotopomers, i.e., 13C16O–N2 and 13C18O–N2, were measured. Strong Coriolis interaction was also observed and studied for the 13C16O-paraN2 isotopomer. In the spectra of 13C16O-paraN2, additional splittings due to 13C spin–rotation interaction were detected, besides the 14N nuclear quadrupole hyperfine structure. These data provide further important information about the intermolecular interaction between CO and N2.© 2000 American Institute of Physics.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1063/1.481911
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