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  • 11
    Electronic Resource
    Electronic Resource
    Determination of dissociation energies and thermal functions of hydrogen-bond formation using high resolution FTIR spectroscopy (1987)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 87 (1987), S. 5674-5680 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: A technique which employs high resolution Fourier transform infrared spectroscopy is demonstrated for evaluation of hydrogen bond dissociation energies D0 and De. Results for HCN--HF give a D0=20.77(22) and De =28.77(45) kJ/mol which are compared with previously determined values obtained from microwave absolute intensity measurements and ab initio molecular orbital calculations. Rovibrational band information available for HCN--HF also permits evaluation of thermal functions of dimer formation in kJ/mol: ΔU(open circle)298.2 =20.1(2), ΔH(open circle)298.2 =22.6(2), ΔG(open circle)298.2 =59.4(2), ΔS(open circle)298.2 =−0.1235.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.453542
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  • 12
    Electronic Resource
    Electronic Resource
    The gas phase infrared spectrum of ν1 and ν1−ν4 HCN---HF (1987)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 86 (1987), S. 1225-1234 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: A continuously tunable single frequency color center laser has been used to investigate the rovibrational static gas phase infrared spectra of the ν1 (H–F stretching vibration) and its hot bands ν1+ν17 −ν17 and ν1+ν4−ν4 in the linear dimer HCN---HF. Observed perturbations in the ν1 and ν1+ν17 −ν17 subbands results from Coriolis interactions of the excited vibrational states ν1 and ν1+ν17 with ν2+2ν4+ν17 and ν2+2ν4+2ν07 , respectively. The influence of Coriolis interactions and vibrationally predissociating excited state lifetimes of 1.06(10)×10−10 s are considered in simulation of the observed band profiles. Molecular and anharmonic cross term parameters associated with investigated vibrational states are also presented. Anharmonic crossterms X(open circle)14 , X(open circle)17 , and X(open circle)47 are evaluated as 8.0252(73), 4.2162(53), and 1.000(49) cm−1, from the available data, including the analysis from the unresolved spectra of ν1−ν4 and ν1−ν4+ν17 −ν17 . The differences of the band origins in ν1 and ν1−ν4 give a value of ν4=168.344(21) cm−1 for the local spacing of the low frequency hydrogen-bond stretching vibration.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.452212
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  • 13
    Electronic Resource
    Electronic Resource
    Infrared spectrum of the overtone band 2ν05 of the hydrogen bonded complex HCN---HF (1986)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 85 (1986), S. 2401-2405 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The infrared spectrum of the overtone of the "intramolecular'' bending vibration 2ν05 of the hydrogen bonded complex HCN---HF centered at 1437.539 91(24) cm−1 has been obtained with a resolution of 0.006 cm−1. Line assignments for this band as well as two hot bands 2ν05+ν17−ν17 and 2ν05 +2ν27−2ν27 have been made, and rotational constants for all the levels involved have been determined. Despite the fact that the higher J energy levels of the observed lines of 2ν05 are above the dissociation energy of the complex, no predissociative line broadening is apparent.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.451095
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  • 14
    Electronic Resource
    Electronic Resource
    Rovibrational analysis of ν3 HCN---HF using Fourier transform infrared spectroscopy (1985)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 83 (1985), S. 6188-6192 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The gas phase rovibrational spectrum of the ν3 band arising from the C≡N stretching vibration in the hydrogen bonded heterodimer HCN---HF has been observed at 0.004 cm−1 instrumental resolution using a Fourier transform infrared spectrophotometer. Analysis of the spectrum gave the following molecular parameters (in cm−1): ν3=2120.935(12), α3=+5.06(19)×10−4, B'=0.119 283(19), D'J=2.30(7)×10−7. Excited state amplitude lifetimes of observed transitions are demonstrated to be 5.6(4)×10−10 s.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.449564
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  • 15
    Electronic Resource
    Electronic Resource
    Pure rotational spectrum of Kr...HCl in the excited state (1000) observed with a glow-discharge source in a pulsed-nozzle Fourier-transform microwave spectrometer (1993)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 98 (1993), S. 2783-2789 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The pure rotational spectra of the four isotopomers 84Kr...H 35Cl, 84Kr...H 37Cl, 86Kr...H 35Cl, and 84Kr...D 35Cl of the van der Waals complex of krypton and hydrogen chloride have been observed in the vibrationally excited state (1000) by incorporating a pulsed glow-discharge source of excited-state molecules into a conventional pulsed-nozzle Fourier-transform microwave spectrometer. The rotational constant B1, the centrifugal distortion constant D1, and the Cl nuclear quadrupole coupling constant χ1(Cl) are reported for each isotopomer. The time of flight of the (1000) Kr...HCl molecules between the region of vibrational excitation and the detection region of the spectrometer indicates that the vibrational predissociative lifetime of the state (1000) is τ≥400 μs. Molecular properties of (1000) Kr...HCl determined from the observed spectroscopic constants are compared with those previously available for the ground state.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.465051
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  • 16
    Electronic Resource
    Electronic Resource
    Spectroscopic characterization of the hydrogen bonded OC–HI in supersonic jets (1993)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 98 (1993), S. 1761-1767 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The hydrogen bond OC–HI has been characterized using high resolution microwave and infrared spectroscopies in supersonic seeded molecular jets. Ground state molecular parameters of the 16O12C–HI and 16O13C–HI isotopic species determined by the pulsed-nozzle Fourier transform microwave supersonic jet technique include: for 16O12C–HI, B0 (MHz)=900.9522(1), DJ (kHz)=2.519(1), CN (kHz)=0.94(18), χ(MHz)=−1346.238(13), χJ (kHz)=−8.27(31). The corresponding values for 16O13C–HI are 882.5997(2), 2.404(2), 0.87(19), −1349.481(17), and −7.76(28). This analysis is consistent only with a linear equilibrium dimer structure in which the proton is bound to the carbon atom of carbon monoxide. Other derived dimer parameters include: r(C–I)=4.271(2) A(ring), αav=24.8°, kσ(N m−1)=1.713. Infrared diode laser investigations provide a band origin frequency ν0 of 2148.549 040(29) cm−1 for the ν2 C≡O stretching fundamental vibration. This corresponds to a blue shift of 5.277 28(37) cm−1 relative to free monomer CO. Excited state molecular constants B2=898.2728(33) MHz. and DJ(2)=2.614(24) kHz are also determined. Line profiles are consistent with an excited state lifetime ≥0.54 ns.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.464264
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  • 17
    Electronic Resource
    Electronic Resource
    Fundamental stretching frequencies in 1H13C14N– –1H19F: J-dependent predissociative excited state lifetimes in ν3 (C≡N) stretching vibration (1991)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 95 (1991), S. 3980-3990 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Static gas phase rovibrational analyses have been used to determine the four fundamental stretching band origin frequencies (in cm−1) of 1H13C14N– – –1H19F: ν1=3716.100(3), ν2=3292.1029(3), ν3=2088.9209(7), ν4=167.407(5). Estimated lifetimes in the ν1 and ν3 vibrationally predissociating states are determined to be τ(ν1)=0.052(7) ns; and τ(ν3)=1.1(3) ns, J'≤16; τ(ν3)=0.32(5) ns, J'≥17. The availability of a higher HF rotational energy channel is proposed as a possible mechanism for explaining this sudden change in excited state lifetime.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.460805
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  • 18
    Electronic Resource
    Electronic Resource
    The spectroscopy and molecular dynamics of the high frequency ν16 intermolecular vibrations in HCN---HF and DCN---DF (1988)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 89 (1988), S. 2775-2780 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Gas phase rovibrational analysis of the high frequency intermolecular hydrogen bonded bending overtone 2ν06 [ν0=1132.4783(2) cm−1] in HCN---HF and its corresponding perdeuterated fundamental ν16 [ν0=409.1660(2) cm−1] are reported. Evaluated rovibrational parameters provide the basis for quantitative modeling of the molecular dynamics associated with this vibration. A quantum mechanical calculation permits determination of the quadratic and quartic force constants K66=537(17) and K6666=4.98(12) cm−1 which in turn are used to estimate the pertinent cubic band stretching interaction constants K466=−149.3(50) cm−1 and account for the unexpected behavior in the rotational constant B16. Second order expansion of the vibrational term energies, give X46=−21.61(2), X67=−7.694(1), X66=−14.84(90), g66=−31.04(90) cm−1, neglecting corrections for Fermi resonance. The common isotopic species equilibrium rotational constant Be is evaluated to be 3681.1(11) MHz.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.455030
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  • 19
    Electronic Resource
    Electronic Resource
    Simple color center laser optothermal molecular beam spectrometer for high-resolution infrared spectroscopy (1986)
    [S.l.] : American Institute of Physics (AIP)
    Review of Scientific Instruments 57 (1986), S. 1-5 
    Details
    ISSN: 1089-7623
    Source: AIP Digital Archive
    Topics: Physics , Electrical Engineering, Measurement and Control Technology
    Notes: A broadband tunable single-frequency color center laser optothermal molecular beam spectrometer has been constructed. K components have been resolved for P(18) to R(11) rovibrational transitions in ν1 CH3C≡C–H. The observed transition linewidths are demonstrated to be ≤6 MHz and are determined with a relative precision of ≤10 MHz over the 15-cm−1 frequency segment scanned.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.1139110
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  • 20
    Electronic Resource
    Electronic Resource
    Microwave spectrum, molecular geometry, ring bending potential function, and electric dipole moment of bicyclo[3.1.0]hexan-3-one (1978)
    s.l. : American Chemical Society
    Journal of the American Chemical Society 100 (1978), S. 8161-8165 
    Details
    ISSN: 1520-5126
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1021/ja00494a023
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