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  • 1
    Electronic Resource
    Electronic Resource
    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
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: 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.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.481911
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  • 2
    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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  • 3
    Electronic Resource
    Electronic Resource
    Microwave and millimeter wave study of Ortho-N2 states of CO–N2 (1999)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 111 (1999), S. 10476-10483 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Microwave and millimeter wave transitions of the CO–N2 complex were investigated using three different instruments, namely, a pulsed molecular beam Fourier transform microwave spectrometer in the frequency region from 4 to 26 GHz, a microwave-millimeter wave double resonance spectrometer in the frequency regions from 8 to 18 GHz for the microwave and 107–118 GHz for the millimeter wave range, and an OROTRON spectrometer in the frequency range from 107 to 132 GHz. Both a- and b-type transitions associated with the ground-state K=0 levels and the lower K=1 levels of the ortho-N2 states, and with rotational quantum number J up to 19, were measured and analyzed. 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. The nuclear quadrupole coupling constants obtained are χaa=0.196 41(52) MHz for K=0 levels, and χaa=−1.0391(17) MHz, χbb=0.0633(17) MHz for the lower K=1 levels, respectively. The drastic difference between these two sets of coupling constants suggests that the orientation and motion of the N2 subunit are very different in these two states, and that the complex cannot be adequately described by a semirigid rotor model. In addition, measurements of the rotational spectra of the two new isotopomers containing 13C16O and 13C18O subunits provide further important information about the CO–N2 interaction potential. © 1999 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.480400
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  • 4
    Electronic Resource
    Electronic Resource
    Direct observation of rotational transitions of the CO–CO dimer (1999)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 111 (1999), S. 5754-5756 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Measurements of five pure rotational transitions of a mixed isotopomer of the CO–CO van der Waals dimer with a Fourier transform microwave spectrometer in the frequency range from 3 to 19 GHz are reported. For symmetry reasons, pure rotational transitions in the vibrational ground state are not accessible in the symmetric 12C16O–12C16O species, and the mixed 12C16O–13C16O isotopomer was studied instead. The observed lines were identified as belonging to the 12C16O–13C16O dimer by isotopomeric variation of the sample composition, monitoring of the microwave excitation pulse conditions, and comparison of the measured frequencies with those predicted in a recent infrared study. [M. D. Brookes and A. R. W. McKellar, J. Chem. Phys. (submitted).] © 1999 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.479871
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  • 5
    Electronic Resource
    Electronic Resource
    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
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1021/j100117a009
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  • 6
    Electronic Resource
    Electronic Resource
    Evidence for heavy atom large amplitude motions in RG-cyclopropane van der Waals complexes (RG=Ne, Ar, Kr) from rotation-tunneling spectroscopy (1997)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 106 (1997), S. 7968-7980 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Rotation-tunneling spectra of the van der Waals complex Ne-cyclopropane, and pure rotational spectra of Ar-cyclopropane and Kr-cyclopropane, were measured with a Fourier transform microwave spectrometer in the frequency range from 4–19 GHz. The observed transitions are all of a-type and are in accord with those of prolate symmetric top molecules where the rare gas atom is positioned on the C3 axis of the cyclopropane subunit above its symmetry plane. Altogether transitions of five isotopomers of the Ne complex with J values ranging from 0 to 4 and K values from 0 to 1 were measured. Three isotopomers of the Ar complex (J from 1 to 5 and K from 0 to 2) and nine isotopomers of the Kr complex (J from 1 to 8 and K from 0 to 2) were observed. Effective separations between the center-of-mass of cyclopropane and the rare gas atoms were obtained from the ground state rotational constants and were found to be 3.673, 3.802, and 3.906 Å for the Ne-, Ar-, and Kr-containing complexes, respectively. The derived centrifugal distortion constants indicate that the complexes are comparatively rigid in the radial coordinate. Transitions of two isomers were observed for complexes that contain monodeuterated cyclopropane. The intensities of transitions of the D-bonded species were considerably higher compared to those of the H-bonded isomers indicating that the angular motion of the rare gas atom is much less restricted. In the case of the parent Ne-cyclopropane complex, and its 22Ne- and mono 13C-isotopomers, all transitions appeared as doublets. This is attributed to a tunneling internal rotation motion of the cyclopropane unit within the complex. © 1997 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.473808
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  • 7
    Electronic Resource
    Electronic Resource
    Continuous slit-jet infrared spectrum of the CO–N2 complex (1996)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 104 (1996), S. 2488-2496 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The weakly bound complex CO–N2 has been studied in the 4.7 μm infrared region of the CO stretching vibration using a continuous slit-jet supersonic expansion and a tunable diode laser spectrometer. A total of 152 lines were observed and assigned to four connected subbands with K=0←1, 0←0, 1←0, and 2←1, and to one unconnected subband with K=1←1. Analysis of these bands yielded K-state origins, rotational parameters, and centrifugal distortion parameters. The effective intermolecular separation for the complex in its ground state was found to be 4.025 A(ring), and predictions of rotational frequencies were made to aid in the search for CO–N2 microwave transitions. The spectra observed were surprisingly simple and well behaved, to the extent that they could virtually be ascribed to a (fictitious) complex of CO with a rare gas atom having a mass of 28 a.m.u. This simplicity may be explained by postulating that the N2 undergoes relatively free internal rotation in the complex. All but one of the observed bands involve levels which correlate with the rotationless J=0 state of ortho-N2. Further spectroscopic work in the infrared and microwave regions should be combined with theoretical studies in order to learn more about the orientational structure and intermolecular potential of this atmospherically relevant system. © 1996 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.470997
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  • 8
    Electronic Resource
    Electronic Resource
    High resolution spectroscopy of Ne and Ar containing noble gas clusters (1997)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 107 (1997), S. 4788-4796 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Detailed studies of the first rotational spectra of mixed noble gas trimers and tetramers containing Ne and Ar atoms are described. Transitions of various isotopomers of Ne2Ar, NeAr2, Ne3Ar, Ne2Ar2, and NeAr3 were measured. Accurate values for rotational constants and centrifugal distortion constants were obtained from the spectral analyses. The spectroscopic parameters are consistent with isosceles triangular geometries of the trimer systems, and with distorted tetrahedral arrangements for the tetramers. Further evidence for the geometries was found in the effects of spin statistics in the spectra of isotopomers with C2v symmetry and of those with C3v symmetry. The simplicity of these fundamental systems makes them well suited for the determination and characterization of many-body nonadditive interactions. The signal strengths observed in these first high resolution spectroscopic studies of noble gas tetramers indicate the possibility of detecting the spectra of larger noble gas clusters. © 1997 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.474842
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  • 9
    Electronic Resource
    Electronic Resource
    Spectroscopic study of the mixed rare-gas–molecule van der Waals trimer NeArHCl (1999)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 110 (1999), S. 4354-4362 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The van der Waals trimer NeArHCl was studied with a pulsed molecular beam Fourier transform microwave spectrometer. The trimer is of the type rare-gas–rare-gas′–linear molecule that is relatively unexplored and is of considerable importance for the understanding of new correction terms proposed in current investigations of nonadditive contributions in weakly bound molecular systems. Pure rotational spectra of four isotopomers of NeArHCl, i.e., 20NeArH 35Cl, 20NeArH 37Cl, 22NeArH 35Cl, and 20NeArD 35Cl were investigated. Nuclear quadrupole hyperfine structures due to the 35Cl, 37Cl, and D nuclei were observed and assigned. The resulting nuclear quadrupole coupling constants were used to provide information about the angular anisotropy of the NeArHCl potential energy surface. Structural parameters of the trimer were determined from the rotational constants obtained. A pseudotriatomic harmonic force field analysis was performed to provide qualitative frequency predictions of the heavy atom van der Waals vibrational motions. Information about the additive and nonadditive interactions from structural and force field analyses is discussed. © 1999 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.478317
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  • 10
    Electronic Resource
    Electronic Resource
    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
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: 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.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.470518
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