v The infrared spectrum of 13C2H2 in the 60-2600 cm-1 region: bending states up to ν4 + ν5=4

被引:4
|
作者
Predoi-Cross, Adriana [2 ]
Herman, Michel [3 ]
Fusina, Luciano [1 ]
Di Lonardo, Gianfranco [1 ]
机构
[1] Univ Bologna, Dipartimento Chim Fis & Inorgan, Fac Chim, I-40136 Bologna, Italy
[2] Univ Lethbridge, Alberta Terr Imaging Ctr, Dept Phys & Astron, Lethbridge, AB T1K 3M4, Canada
[3] Univ Libre Bruxelles, Fac Sci, Lab Chim Quant & Photophys, B-1050 Brussels, Belgium
基金
加拿大自然科学与工程研究理事会;
关键词
(C2H2)-C-13; high-resolution Fourier transform infrared spectroscopy; fundamental; combination; overtone; hot bands; global analysis; VIBRATION-ROTATION SPECTRA; RESOLUTION RAMAN-SPECTROSCOPY; C-13 ISOTOPIC VARIETIES; C-13-CONTAINING ACETYLENE; DIODE-LASER; TRANSITIONS;
D O I
10.1080/00268976.2012.705345
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
The vibration-rotation spectra of C-13 substituted acetylene, (C2H2)-C-13, have been recorded in the region between 60 and 2600 cm(-1) at an effective resolution ranging from 0.001 to 0.006 cm(-1). Three different instruments were used to collect the experimental data in the extended spectral interval investigated. In total 9529 rotation vibration transitions have been assigned to 101 bands involving the bending states up to nu(tot) = nu(4) + nu(5) = 4, allowing the characterization of the ground state and of 33 vibrationally excited states. All the bands involving states up to nu(tot) = 3 have been analyzed simultaneously by adopting a model Hamiltonian which takes into account the vibration and rotation l-type resonances. The derived spectroscopic parameters reproduce the transition wavenumbers with a RMS value of the order of the experimental uncertainty. Using the same model, larger discrepancies between observed and calculated values have been obtained for transitions involving states with nu(tot) = 4. These could be satisfactorily reproduced only by adopting a set of effective constants for each vibrational manifold, in addition to the previously determined parameters, which were constrained in the analysis. v
引用
收藏
页码:2621 / 2632
页数:12
相关论文
共 50 条
  • [1] The infrared spectrum of 13C2HD between 100 and 2100 cm-1: a global fit for the bending states up to υ 4+υ 5=3
    Fusina, Luciano
    Tamassia, Filippo
    Di Lonardo, Gianfranco
    Baldan, Alessandro
    MOLECULAR PHYSICS, 2009, 107 (20) : 2119 - 2126
  • [2] The infrared spectrum of DCCF in the 320-850 cm-1 region: bending states up to υ4+υ5 = 3
    Villa, Mattia
    Cane, Elisabetta
    Fusina, Luciano
    Buerger, Hans
    Litz, Marion
    MOLECULAR PHYSICS, 2014, 112 (08) : 1071 - 1080
  • [3] The infrared spectrum of 13C2D2:: The bending states up to ν4+ν5=2
    Canè, E
    Cazzoli, G
    Di Lonardo, G
    Dore, L
    Escribano, R
    Fusina, L
    JOURNAL OF MOLECULAR SPECTROSCOPY, 2002, 216 (02) : 447 - 453
  • [4] The infrared spectrum of 12C13CH2:: The bending states up to ν4+ν5=4
    Di Lonardo, G
    Baldan, A
    Bramati, G
    Fusina, L
    JOURNAL OF MOLECULAR SPECTROSCOPY, 2002, 213 (01) : 57 - 63
  • [5] Cavity ringdown spectroscopy of 13C2H2 in the 12 900-13 400 cm-1 region
    Lue, Christopher J.
    Sullivan, Michael N.
    Draganjac, Mark
    Reeve, Scott W.
    JOURNAL OF MOLECULAR SPECTROSCOPY, 2012, 273 : 6 - 10
  • [6] The infrared spectrum of 12C2HD:: the bending states up to v4+v5=3
    Fusina, L
    Canè, E
    Tamassia, F
    Di Lonardo, G
    MOLECULAR PHYSICS, 2005, 103 (24) : 3263 - 3270
  • [7] High resolution infrared spectroscopy of H12C13CD and H13C12CD: The bending states up to v4+v5=2
    Fusina, L.
    Cane, E.
    Tamassia, F.
    Baldan, A.
    Di Lonardo, G.
    JOURNAL OF MOLECULAR SPECTROSCOPY, 2011, 268 (1-2) : 226 - 230
  • [8] Fourier transform infrared spectrum of carbon disulphide in the 4v2+v3 band region near 3100 cm-1
    Blanquet, G
    Walrand, J
    Bredohl, H
    Dubois, I
    MOLECULAR PHYSICS, 2000, 98 (24) : 2021 - 2031
  • [9] The infrared spectrum of 12C2D2: The stretching-bending band system up to 5500 cm-1
    Villa, Mattia
    Cane, Elisabetta
    Tamassia, Filippo
    Di Lonardo, Gianfranco
    Fusina, Luciano
    JOURNAL OF CHEMICAL PHYSICS, 2013, 138 (13):
  • [10] Global analysis of the infrared spectrum of 13CH4:: Lines in the region 0 to 3200 cm-1
    Niederer, Hans-Martin
    Albert, Sieghard
    Bauerecker, Sigurd
    Boudon, Vincent
    Champion, Jean-Paul
    Quack, Martin
    CHIMIA, 2008, 62 (04) : 273 - 276