Vibration-Rotation Spectra of 13C-Containing Acetylene: The ν1/ν2 + 2ν5 Fermi Dyad

Dilonardo, G.; Ferracuti, P.; Fusina, L.; Venuti, Elisabetta

doi:10.1006/jmsp.1994.1068

Cited by 21 publications

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“…[2][3][4][5][6][7] There is a similar resonance between the symmetric C-H stretching fundamental 1 and the combination band 2 ϩ2 5 , which is only a weak resonance in 12 C 2 H 2 where the bands are 48 cm Ϫ1 apart, but becomes a strong resonance in 13 C 2 H 2 where the corresponding wave functions are again almost 50/50 mixed. 8,9 Turning to substituted acetylenes, Borro, Mills, and Mose 10 have recently reported a resonance between 1 and 2 ϩ2 4 in both monofluoroacetylene HCCF and monochloroacetylene HCCCl, although in both cases the resonance is relatively weak. In all these cases experimental values have been reported for the appropriate anharmonic resonance coefficient, K 3,245 and K 1,255 in the case of acetylene, and K 1,244 for the haloacetylenes.…”

Section: Introductionmentioning

confidence: 99%

Quartic anharmonic resonances in acetylenes and haloacetylenes

Borro

Mills

Venuti

1995

The Journal of Chemical Physics

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Formulas are derived for the quartic anharmonic resonance coefficients observed to be important between C-H stretching and the combination of one quantum of CwC stretching and two quanta of H-CwC bending in a number of acetylene molecules. Examples of this resonance are 3 with 2 ϩ 4 ϩ 5 in 12 C 2 H 2 , 1 with 2 ϩ2 5 in 13 C 2 H 2 , and 1 with 2 ϩ2 4 in monofluoroacetylene and monochloroacetylene. The coefficients characterizing the resonances in these examples, which we denote K 3,245 , K 1,255 , and K 1,244 , arise from cubic and quartic terms in the anharmonic force field, in the normal coordinate representation, through second order and first order perturbation treatments respectively, where the second order resonances are calculated by a Van Vleck resonance formalism. The experimentally determined values of these coefficients are compared with values calculated from model anharmonic force fields.

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Section: Introductionmentioning

confidence: 99%

Quartic anharmonic resonances in acetylenes and haloacetylenes

Borro

Mills

Venuti

1995

The Journal of Chemical Physics

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Experimental overtone spectroscopy

1999

Advances in Chemical Physics

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The Acetylene S₀ Surface: From Dispersed Fluorescence Spectra to Polyads to Dynamics

Solina

O’Brien

Field

et al. 1995

Ber Bunsenges Phys Chem

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Dispersed Fluorescence spectra of acetylene have been recorded and unzipped, through a fortuitous coincidence of FC active modes and active anharmonic resonances, there by pictorially revealing the key factors controlling the vibrational dynamics on the acetylene S0 surface. When energy is placed into very high excitation of the trans‐bend and moderate excitation of the CC stretch, three approximately conserved quantities survive, i.e., no trace of the expected total breakdown of vibrational constants of motion due to energetic access to the vinylidene isomer is observed for vibrational energies up to at least 16400 cm−1. Unzipping the DF spectrum reveals the FC intensity profiles for the acetylene Ã ↔ X̃ system with two FC active modes. Also, the unzipped DF spectrum clearly demonstrates that IVR increases within a polyad by increasing trans‐bead, v4, and by decreasing CC stretch, v2. Increasing IVR with increasing v4 or decreasing v2, are both cases where the first few resonance tiers play the dominant role in controlling IVR for the initial states prepared in these experiments, very high excitation in the trans‐bend and moderate excitation in the CC stretch.

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Vibration-Rotation Spectra of 13C-Containing Acetylene: The ν1/ν2 + 2ν5 Fermi Dyad

Cited by 21 publications

References 0 publications

Quartic anharmonic resonances in acetylenes and haloacetylenes

Quartic anharmonic resonances in acetylenes and haloacetylenes

Experimental overtone spectroscopy

The Acetylene S₀ Surface: From Dispersed Fluorescence Spectra to Polyads to Dynamics

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Vibration-Rotation Spectra of 13C-Containing Acetylene: The ν1/ν2 + 2ν5 Fermi Dyad

Cited by 21 publications

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Quartic anharmonic resonances in acetylenes and haloacetylenes

Quartic anharmonic resonances in acetylenes and haloacetylenes

Experimental overtone spectroscopy

The Acetylene S0 Surface: From Dispersed Fluorescence Spectra to Polyads to Dynamics

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Product

Resources

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The Acetylene S₀ Surface: From Dispersed Fluorescence Spectra to Polyads to Dynamics