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  • 1
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 107 (1997), S. 9835-9841 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The pure rotational spectrum of the free radical MgBr has been measured in its 2Σ+ ground electronic state by Fourier transform microwave spectroscopy. Transitions have been observed for both 24Mg79Br and 24Mg81Br in the v=0 and v=1 vibrational states. Rotational and centrifugal distortion constants have been determined for each isotopomer in each vibrational state. Equilibrium rotational constants have been calculated and an accurate equilibrium bond length has been determined. Spin-rotation constants, for both the unpaired electron and the bromine nuclei, have been calculated along with magnetic and nuclear quadrupole hyperfine constants for the bromine nuclei. From these constants, the electronic structure of MgBr has been investigated and comparisons have been made to similar compounds. The unpaired electron spin density on the bromine nucleus has been found to be very small, suggesting that this is a very ionic compound. However, the Mg–Br bond has been found to have more covalent character than the bond in other alkaline earth monobromides. © 1997 American Institute of Physics.
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 106 (1997), S. 7519-7530 
    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.
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  • 3
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 113 (2000), S. 6618-6623 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Millimeter wave and infrared spectra of the weakly bound dimer (CO)2 have been studied in low-temperature pulsed supersonic jet expansions. Twenty-five new millimeter wave transitions have been observed and assigned, mostly in the 78–107 GHz region. Combined with previous data, they enable the relative energies of most of the known rotational levels (28 out of 31) in the ground vibrational state (vCO=0) of the dimer to be determined with "microwave" accuracy ((approximately-less-than)0.1 MHz). Four new subbands in the infrared spectrum have been assigned in terms of two new stacks of rotational levels in the excited vibrational state (vCO=1), one stack with K=0 and the other with K=1. Energies for these levels have been determined with "infrared" accuracy ((approximately-less-than)10 MHz). These results contribute significantly to the considerable body of precise experimental information available for a system that is ripe for further theoretical investigation. © 2000 American Institute of Physics.
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  • 4
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 109 (1998), S. 5439-5445 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The pure rotational spectrum of the X 1Σ+ ground electronic state of yttrium monobromide has been measured. This is the first high-resolution spectrum recorded for this molecule. Transitions in the ground and first excited vibrational states have been measured for both the Y79Br and Y81Br isotopomers. Equilibrium rotational parameters have been determined and an equilibrium bond distance has been calculated. Vibrational parameters have been estimated. Hyperfine structure due to the bromine nuclei has been observed and nuclear quadrupole and nuclear spin–rotation constants have been determined. These parameters have been used to investigate the ionic character of the Y–Br bond and comparisons have been made to several alkali and alkaline earth metal bromide species. © 1998 American Institute of Physics.
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  • 5
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 114 (2001), S. 4824-4828 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The weakly bound van der Waals complex CH4–CO has been observed spectroscopically for the first time in the infrared (C–O stretching, (approximate)2143 cm−1) and millimeter wave (80–107 GHz) regions. The spectra analyzed here resemble quite closely those of the rare gas–carbon monoxide complexes, like Ne–CO and Ar–CO, and they almost certainly arise from CH4–CO complexes composed of CH4 in the lowest j=0 rotational state of A symmetry. The effective ground state intermolecular separation is 3.994 Å. Predictions are given here for the K=0 and 1 pure rotational microwave transitions of CH4–CO in the A state. The infrared spectrum shows numerous additional transitions which must be due to CH4–CO composed of methane in the F and E symmetry states, but these have not yet been assigned. Future microwave measurements on these F and E states will aid further progress on the infrared spectrum. © 2001 American Institute of Physics.
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