ALBERT

All Library Books, journals and Electronic Records Telegrafenberg

X
Your search history is empty.
feed icon rss

Your email was sent successfully. Check your inbox.

An error occurred while sending the email. Please try again.

Proceed reservation?

Export
  • 1
    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
    Location Call Number Expected Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 2
    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
    Location Call Number Expected Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 3
    Electronic Resource
    Electronic Resource
    Inversion of experimental data and ab initio studies of a pseudo-atom–diatom model for the vibrational dynamics of HCN–HF (1992)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 97 (1992), S. 2209-2223 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Spectroscopic data was inverted to generate simplified atom–diatom intermolecular potentials for the hydrogen bonded dimer HCN–HF. Both the HF ν1=0 and ν1=1 adiabatic surfaces of this complex involving the hydrogen bond stretch (ν4) and the high frequency HF bend (ν6) degrees of freedom were considered. Adiabatic separation of angular and radial degrees of freedom allowed a modified vibrational Rydberg–Klein–Rees (RKR) inversion to give effective radial potentials for each bending state. The final potential at a sequence of intermolecular separations was obtained by requiring agreement between the eigenvalues of the angular Hamiltonian and the effective radial potentials which were obtained from the RKR inversion. Potentials obtained from the inversion procedure were tested by a variational calculation with a basis set that consisted of products of preoptimized radial and angular eigenfunctions. Transition frequencies included in the inversion procedure were reproduced to better than 1 cm−1, respective rotational constants were predicted within 0.15% of the experimental value and predicted intensities were in qualitative agreement with experimental results. Ab initio potentials were also calculated using second order Møller–Plesset perturbation theory to treat electron correlation effects and with a triple-zeta-valence basis set plus two sets of polarization functions. The energies were computed at geometries where the potential had been determined by the inversion procedure. A total of 264 geometries were considered. A correction for basis set superposition errors led to good agreement between ab initio and experimental values of the well depth. We calculated the bound states of the ab initio surfaces assuming the adiabatic separation of the ν1 mode from the ν4 and the ν6 modes. The transition frequencies calculated from the ab initio surface differed from the experimental energies by less than 20 cm−1 even for highly excited overtones. Both the potentials obtained from the inversion procedure and from the ab initio calculations were modified to predict the spectrum of HCN–DF.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.463112
    Location Call Number Expected Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 4
    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
    Location Call Number Expected Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 5
    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
    Location Call Number Expected Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 6
    Electronic Resource
    Electronic Resource
    A near-infrared Fourier-transform planar supersonic jet spectrometer for rovibrational studies of weakly bound dimers and trimers (1995)
    [S.l.] : American Institute of Physics (AIP)
    Review of Scientific Instruments 66 (1995), S. 4375-4384 
    Details
    ISSN: 1089-7623
    Source: AIP Digital Archive
    Topics: Physics , Electrical Engineering, Measurement and Control Technology
    Notes: A high-resolution FTIR supersonic slit jet absorption spectrometer is described for the investigation of weakly bound dimers and trimers in the near-infrared spectral region. The spectrometer is demonstrated to conservatively have a sensitivity of 6×108 molecules/cc/state and can be operated at an apodized resolution of 0.004 cm−1. To illustrate the performance of the spectrometer, it has been applied to the rovibrational analysis of the band spectra of three weakly bound species in the near infrared: ν1 OC–HF, ν1 N2–HCl, and ν5 (H35Cl)3. The recorded spectra of these species are compared with corresponding investigations using state-of-the-art tunable infrared laser supersonic jet or molecular-beam spectrometers to illustrate the capabilities and limitations of the current FTIR supersonic jet spectrometer. © 1995 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.1145331
    Location Call Number Expected Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 7
    Electronic Resource
    Electronic Resource
    Microphone detection of the predissociation of iodine in a supersonic beam (1987)
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 61 (1987), S. 4902-4908 
    Details
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: Use of a condenser microphone as a detector in laser–molecular beam studies of excited state molecular dynamics is demonstrated through the observation of predissociation in iodine seeded in a supersonic helium beam. Resultant beam loss with the absorption of cw dye laser radiation in individual rotational lines of the 127I2B 3Π+0u−X 1Σ+g (25,0) transition is measured by the on-axis microphone and shows partially resolved hyperfine structure.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.338357
    Location Call Number Expected Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 8
    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
    Location Call Number Expected Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 9
    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
    Location Call Number Expected Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 10
    Electronic Resource
    Electronic Resource
    The structure and ground state dynamics of Ar–IH (1999)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 111 (1999), S. 5764-5770 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The structure and ground state dynamics of the atom–diatom dimer interaction between Ar and HI has been investigated by microwave and near infrared supersonic jet spectroscopy. Ab initio molecular orbital calculations were used to provide greater insight into the nature of the interaction. The ground state is shown to be in the isomeric form Ar–IH with Rcm=3.9975(1) Å, θ=149.33(1)° for the normal isotopomer and Rcm=3.9483(1) Å, θ=157.11(1)° for Ar–ID. The potential surface from an ab initio molecular orbital calculation was scaled and shifted to yield a nonlinear least-squares fit of the rovibrational state energies to the experimental data. The ground state potential energy surface obtained in this manner has a barrier between the Ar–IH and Ar–HI isomers of 88.5 cm−1 with respect to the global minimum. Such calculations are also used to predict the presence of localized states in the secondary minimum associated with isomers Ar–HI and Ar–DI. Attempts to experimentally identify transitions associated with the latter were unsuccessful. The ground state, Ar–IH isomeric structure, contrasts with the corresponding ground state of the other members of the homologous series Ar–HX (X=F, Cl, and Br) in which the Ar is bound to the proton. © 1999 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.479873
    Location Call Number Expected Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
Close ⊗
This website uses cookies and the analysis tool Matomo. More information can be found here...