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  • American Institute of Physics (AIP)  (13)
  • 1
    Electronic Resource
    Electronic Resource
    Determination of rotational constants using nuclear quadrupole hyperfine structure: The microwave spectrum and dipole moment of vinyl iodide, obtained using a computer-controlled spectrometer (1988)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 88 (1988), S. 3497-3507 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The microwave spectra of vinyl iodide, CH2=CHI, in its ground and first excited vibrational states, have been measured in the frequency range 20–108 GHz. The spectrometer used was a 100 kHz Stark modulated instrument, interfaced to a Digital Micro-PDP 11/23+ computer for control and for data acquisition and storage; this interfacing is described. The spectrum contains strong a-type transitions and very weak b-type transitions; all contain 127I quadrupole hyperfine structure, with several large perturbations. A procedure specially devised for analysis of such spectra, which takes advantage of the perturbations, was applied to produce accurate values of constants that might otherwise be unobtainable, and to permit assignment of the b-type transitions. Both components of the dipole moment have been measured. The centrifugal distortion constants and inertial defects have been compared with those calculated from a published harmonic force field, modified for the out-of-plane vibrations. A partial structure has been obtained.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.454729
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  • 2
    Electronic Resource
    Electronic Resource
    The microwave spectrum of CuO, X 2Π, measured with optical detection (1987)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 86 (1987), S. 4754-4761 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The microwave pure rotational transitions J=3/2←1/2 and 5/2←3/2 have been measured for gas phase CuO in its X 2Π state, using microwave-optical double resonance. The copper hyperfine structure was observed, and has been analyzed for the first time for the ground state of an orbitally degenerate transition metal-containing molecule in the gas phase. Rotational, lambda-doubling, and magnetic and electric hyperfine parameters have been evaluated; the Fermi contact parameter bF has been found to be very large and negative. The problem of determining the signs of the "off-diagonal'' hyperfine parameters in 2Π electronic states is discussed.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.452696
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  • 3
    Electronic Resource
    Electronic Resource
    Microwave–millimeter-wave double resonance experiments on Ar–CO (1995)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 102 (1995), S. 3587-3592 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: A new double resonance technique has been developed to extend the accessible frequency range of a cavity pulsed microwave Fourier transform spectrometer beyond the microwave to the millimeter wave range. The technique has been used to measure indirectly pure rotational transitions of the van der Waals complex Ar–CO in the millimeter-wave range. These have led to an improved value for its A-rotational constant. The experiments have been done with the signal transition in the microwave range and the pump transition in the millimeter-wave range, in order to exploit the high sensitivity of the microwave spectrometer. All double resonance effects observed can be rationalized in terms of pump (millimeter-wave) radiation-induced population transfer. © 1995 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.468581
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  • 4
    Electronic Resource
    Electronic Resource
    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
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: 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.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.466301
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  • 5
    Electronic Resource
    Electronic Resource
    Pure rotational spectra of the van der Waals complexes Ne–CO, Kr–CO, and Xe–CO (1997)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 106 (1997), S. 7519-7530 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The pure rotational spectra of the van der Waals dimers of Ne, Kr, and Xe with CO have been measured using a pulsed jet, cavity microwave Fourier transform spectrometer. All transitions measured were a-type R-branches, obeying selection rules ΔJ=+1, ΔKa=0, and ΔKc=+1. Spectra with Ka=0 were measured for 7 isotopomers of Ne–CO, 13 of Kr–CO, and 17 of Xe–CO. Transitions with Ka=1 were measured for 20Ne–12C16O and 84Kr–12C16O. Rotational constants and centrifugal distortion constants have been determined for all species, as well as the 17O quadrupole coupling constants χaa for 84Kr–13C17O and 20Ne–13C17O. Effective structural parameters have been calculated from the rotational constants. Results derived from the 17O quadrupole coupling constants and centrifugal distortion constants indicate that Ne–CO is considerably more flexible than Ar–CO, Kr–CO, or Xe–CO. Failure to observe hyperfine structure due to the 21Ne, 83Kr, and 131Xe nuclei is discussed in terms of the weak rare gas–CO bonding. Comparisons have been made to the isoelectronic rare gas–N2 van der Waals complexes. © 1997 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.473756
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  • 6
    Electronic Resource
    Electronic Resource
    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
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: 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).
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.465356
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  • 7
    Electronic Resource
    Electronic Resource
    The microwave rotational spectrum of the Ar–CO dimer (1993)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 98 (1993), S. 9399-9404 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Pure rotational spectra of four different isotopomers of the dimer Ar–CO have been investigated between 8 and 18 GHz using a pulsed beam cavity Fourier transform spectrometer. The spectra confirm that the complex is a prolate near-symmetric rotor with an essentially T-shaped structure, and that it undergoes large amplitude zero-point motion. It is shown that on the average the argon is closer to the oxygen than to the carbon. The transitions measured obey a-type selection rules with ΔJ=+1, ΔKa=0, and ΔKc=+1. For 40Ar–12C16O, transitions have been observed for Ka=0 and 1 with lower state J values of 1, 2, and 3. For 40Ar–13C16O and 40Ar–13C18O, a similar series was measured, but only for Ka=0. For 40Ar–13C17O, the 17O quadrupole hyperfine pattern was resolved in the rotational transition JKaKc = 202–101. Determinations have been made for rotational and centrifugal distortion constants, as well as for the 17O quadrupole coupling constant χaa. Effective values have been obtained for the length of the line from the center of mass of the CO subunit to the argon nucleus, and for the angle between this line and the CO bond.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.464371
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  • 8
    Electronic Resource
    Electronic Resource
    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
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: 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.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.464050
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  • 9
    Electronic Resource
    Electronic Resource
    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
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: 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)°.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.462932
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  • 10
    Electronic Resource
    Electronic Resource
    Microwave spectra of metal chlorides produced using laser ablation (1993)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 99 (1993), S. 3320-3328 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: An apparatus has been constructed to produce metal compounds using laser ablation and to investigate their rotational spectra with a microwave Fourier transform (MWFT) cavity spectrometer. The first three such compounds that have been studied are silver chloride, aluminum (I) chloride, and copper (I) chloride, produced by ablation of silver, aluminum, and copper rods in the presence of chlorine gas, using a Q-switched Nd:YAG laser (532 nm). The high resolution and sensitivity available with the MWFT cavity spectrometer have permitted the first determination of nuclear spin–rotation coupling constants for AlCl and CuCl. These constants have been used to examine the electronic structures of the molecules. Values of the rotational and nuclear quadrupole coupling constants have also been improved for the three metal chlorides.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.465141
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