Infrared vibrational spectra of matrix-isolated cyclic Li2F2, Li3F3, and Li4F4 isotopomers

Redington, Richard L.
May 1995
Journal of Chemical Physics;5/15/1995, Vol. 102 Issue 19, p7325
Academic Journal
Infrared (IR) spectra of the 6,7Li isotopomers of the LiF species isolated in rare gas matrices are interpreted with the input of molecular geometries and vibrational spectra computed using ab initio molecular orbital (MO) theory at the MP2/6-31G* level. The MO computations, together with IR matrix-isolation observations, support firm species assignments and vibrational assignments for the IR-active modes of the title molecules. The study presents the first evidence for the existence of matrix-isolated Li4F4 cyclic tetramer, and resolves contradictory species/vibrational assignments for the smaller oligomers. Most of the matrix-isolated cyclic trimer and tetramer population is formed by coalescence of smaller species during the matrix deposition process or during subsequent matrix annealing/warming processes. There appears to be no evidence in the available matrix-isolation data for the existence of a matrix-stabilized Li2F2 linear dimer. © 1995 American Institute of Physics.


Related Articles

  • Continuous slit-jet infrared spectrum of the CO–N2 complex. Xu, Yunjie; McKellar, A. R. W. // Journal of Chemical Physics;2/15/1996, Vol. 104 Issue 7, p2488 

    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...

  • Spectroscopy and dynamics of rare gas–spherical top complexes. The infrared spectrum of the ν3 band of argon–silane. Randall, Robert W.; Ibbotson, Jonathan B.; Howard, Brian J. // Journal of Chemical Physics;5/15/1994, Vol. 100 Issue 10, p7051 

    The infrared spectrum of Ar–SiH4, a rare gas–spherical top van der Waals complex, has been recorded in the vicinity of the silane ν3 triply degenerate stretching vibration ∼2189 cm-1. A complex, dense spectrum is observed, and this is due to the observation of 12 bands with...

  • Magneto-infrared spectra of the Si2, Ge2, and Sn2 molecules in rare-gas matrices. Li, S.; Zee, R. J. Van; Weltner, W. // Journal of Chemical Physics;5/15/1994, Vol. 100 Issue 10, p7079 

    Absorption spectra of Si2, Ge2, and Sn2, observed between 50 and 5000 cm-1 in neon and argon matrices at 4 K, were assigned to the lowest 3Πu←X 3Σg- electronic transition. In all three cases, the Franck–Condon envelope of vibrational bands allowed T00, ωe’,...

  • Matrix induced frequency shifts of transition metal atoms in Ar, Kr, and Xe matrices at 10 K. Jeong, G. H.; Klabunde, K. J. // Journal of Chemical Physics;8/15/1989, Vol. 91 Issue 4, p1958 

    A linear correlation was found for rare gas polarizabilities and matrix induced frequency shifts of Ru, Os, and Ir atoms. Nickel, Mo, Ag, and Au atoms also showed the same trend. A modified Lennard-Jones (6-12) function where many-body interactions are considered between an isolated atom (guest)...

  • Super-broadband continuum generation with transient self-focusing of a terawatt laser pulse in rare gases. Nishioka, H.; Ueda, K.-I. // Applied Physics B: Lasers & Optics;Sep2003, Vol. 77 Issue 2/3, p171 

    Describes the generation of hype-continuum that continuously covers from the vacuum ultraviolet (VUV) to the infrared (IR) spectral regions with a flat spectral shape in nonlinear propagation in rare gases. Spectral intensity; Conversion efficiency; Spectral, spatial and temporal...

  • Rotational and vibrational dynamics of ethylene in helium nanodroplets. Lindsay, C. M.; Miller, R. E. // Journal of Chemical Physics;3/8/2005, Vol. 122 Issue 10, p104306 

    Rotationally resolved infrared spectra are reported for the asymmetric C–H stretching fundamental bands of C2H4 in helium nanodroplets, as well as two weak combination bands. The J=2 rotor levels are strongly shifted from the energies estimated from a rigid rotor calculation and can be...

  • Infrared spectra of vaporized Pt and Pt+H[sub 2] in rare-gas matrices: Unique phonon effects. Li, S.; Weimer, H.A.; Van Zee, R.J.; Weltner Jr., W. // Journal of Chemical Physics;2/15/1997, Vol. 106 Issue 7, p2583 

    Investigates the infrared spectra of vaporized platinum and Pt+H[sub 2] in rare-gas matrices neon, argon, krypton and xenon. Progression of absorption bands produced by laser-vaporized platinum metal; Strong patterns of similar sidebands appearing in the spectra in the heavier matrices; Unique...

  • van der Waals potentials from the infrared spectra of rare gas–HF complexes. Fraser, G. T.; Pine, A. S. // Journal of Chemical Physics;9/1/1986, Vol. 85 Issue 5, p2502 

    High-resolution infrared spectra of the Ar–HF, Kr–HF, and Xe–HF van der Waals molecules have been recorded in the vicinity of the H–F stretching fundamentals, ν1, under thermal equilibrium conditions at T[bar_over_tilde:_approx._equal_to]211 K with a tunable...

  • Optical spectra of Yb atoms and dimers in rare gas matrices. Suzer, Sefik; Andrews, Lester // Journal of Chemical Physics;11/1/1988, Vol. 89 Issue 9, p5514 

    Matrix isolated Yb vapor spectra show absorptions due to atoms, dimers, and higher aggregates. The atomic spectrum reveals strong 395 and 344 nm bands and very sharp weaker 267 and 255 nm absorptions in solid argon. The spectrum of Yb2 shows extensive vibrational stucture around 550 nm both in...


Read the Article


Sorry, but this item is not currently available from your library.

Try another library?
Sign out of this library

Other Topics