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  • 1
    Electronic Resource
    Electronic Resource
    Infrared laser velocity modulation spectrum of the ν3 fundamental band of HBBr+ (1999)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 111 (1999), S. 5905-5908 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The infrared absorption spectrum of the ν3 (B–Br stretching) mode of HBBr+ has been observed using a tunable diode laser and velocity modulation spectroscopy. The ion was formed in an ac glow discharge through a flowing mixture of H2 and BBr3. Thirty-three transitions of H11B79Br+ and the same number of lines of the H11B81Br+ isotopomer have been assigned. The band origins and rotational constants are H11B79Br+: ν0=937.5696(13) cm−1, B0=0.461 822(42) cm−1, and B1=0.459 254(41) cm−1. H11B81Br+: ν0=936.0554(11) cm−1, B0=0.460 330(45) cm−1, and B1=0.457 778(43) cm−1. Ab initio calculations of the band origins and the internuclear distances have been performed using the GAUSSIAN 94 package. The calculated values are in highly satisfactory agreement with the experimental results. © 1999 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.479885
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  • 2
    Electronic Resource
    Electronic Resource
    High-resolution infrared spectroscopic determination of the nν5±n vibrational energies of HCCN and DCCN (2001)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 115 (2001), S. 9331-9339 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The high-resolution infrared kinetic spectra of HCCN and DCCN have been recorded, the former between 3395 and 3481 cm−1 and the latter in the 2517–2593 cm−1 region. A total of four dominant Q branches were observed and have been subsequently assigned to the ν1+2ν5±2←ν5±1, ν1+3ν5±3←2ν5±2 bands of the two isotopomers. The band origins have been determined to be 3420.666(1), 2544.743(2), 3460.912(2), and 2573.480(1) cm−1 respectively. These new values have been used in conjunction with the previously obtained ν1+2ν5±2←2ν5±2 band origins of HCCN and DCCN to obtain 2ν5±2←ν5±1 vibrational energies of 212.822(1) and 133.106(1) cm−1 for HCCN and DCCN, respectively. Semirigid bender calculations of the energy levels of these molecules have been carried out. By adjusting the height of the barrier to linearity, excellent agreement with experimental data has been attained. © 2001 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.1413981
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    Paper (German National Licenses)
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