New vibrational assignments in the Ā1Au-[Xtilde]1Σ+gelectronic transition of acetylene, C2H2: the v′1frequency

Merer, A. J.; Yamakita, Nami; Tsuchiya, Soji; Stanton, John F.; Duan, Zicheng; Field, Robert W.

doi:10.1080/0026897021000023640

Cited by 23 publications

(24 citation statements)

References 22 publications

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“…Earlier jet-cooled experiments [42] showed that the spectra are much richer than had been thought in the previous work, with many weaker bands observable among the main progressions.…”

Section: Introductionmentioning

confidence: 86%

“…For example, in the survey spectra of Ref. [42] there are bands with barely detectable intensity close to the expected positions for B 2 and 3 1 B 2 . Upon closer inspection, despite the low temperature of the free-jet expansion, the positions of these bands are found to match those of the known 3 n 4 1 hot bands and do not correspond to polyads formed from the low-frequency bending modes.…”

Section: Combination Polyads Observed In One-photon Laser Excitationmentioning

confidence: 99%

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Stretch-bend combination polyads in the Ã1Au state of acetylene, C2H2

Steeves

Bechtel

Merer

et al. 2009

Journal of Molecular Spectroscopy

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“…Earlier jet-cooled experiments [42] showed that the spectra are much richer than had been thought in the previous work, with many weaker bands observable among the main progressions.…”

Section: Introductionmentioning

confidence: 86%

Section: Combination Polyads Observed In One-photon Laser Excitationmentioning

confidence: 99%

Stretch-bend combination polyads in the Ã1Au state of acetylene, C2H2

Steeves

Bechtel

Merer

et al. 2009

Journal of Molecular Spectroscopy

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“…In the recent experimental literature, the vibrational states are categorized in three groups: states containing excitation only in the totally symmetric modes 30,47 , the pure bending polyads 9 , and the stretch-bend combination polyads 10 . We organize our discussion accordingly.…”

Section: Fig 3 Comparison Of Calculated Spectrum (Downward) Withmentioning

confidence: 99%

Reduced dimension discrete variable representation study of cis–trans isomerization in the S1 state of C2H2

Baraban

Beck

Steeves

et al. 2011

The Journal of Chemical Physics

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Isomerization between the cis and trans conformers of the S 1 state of acetylene is studied using a reduced dimension DVR calculation. Existing DVR techniques are combined with a high accuracy potential energy surface and a kinetic energy operator derived from FG theory to yield an effective but simple Hamiltonian for treating large amplitude motions. The spectroscopic signatures of the S 1 isomerization are discussed, with emphasis on the vibrational aspects. The presence of a low barrier to isomerization causes distortion of the trans vibrational level structure and the appearance of nominally electronically forbiddenÃ 1 A 2 ←X 1 Σ + g transitions to vibrational levels of the cis conformer. Both of these effects are modeled in agreement with experimental results, and the underlying mechanisms of tunneling and state mixing are elucidated by use of the calculated vibrational wavefunctions.

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“…The relative strength of the 3 4 6 2 band compared to overlapping features is much higher in the H-atom REMPI spectrum than the LIF spectrum due to significant predissociation. Overlapping features, not labeled in the spectra, include transitions to 2 1 3 3 (both 12 C and possibly 13 C isotope lines), 1 1 6 2 , and the 3 3 B 2 polyad. 6,16 to within fit uncertainties and 3 4 6 1 has an apparent staggering of about +27 cm −1 .…”

Section: A H-atom Action Spectramentioning

confidence: 99%

“…4 The transition is now known to be a π * ← π excitation from the linear ground state to a trans-bent excited state, S 1 (Ã 1 A u ). Further detailed analyses by Watson et al, [5][6][7] the Crim group, 8,9 Yamakita and Tsuchiya, [10][11][12] and Merer et al [13][14][15][16][17] have led to an essentially complete assignment of the vibrational and rotational structure up to 4500 cm −1 above the zero-point level of theÃ state. One of the most interesting results of these analyses has been the discovery 17,18 of bands that belong to the cis-bent isomer of theÃ state, the zero-point level of which lies about 2670 cm −1 higher in energy than that of the trans-bent isomer.…”

Section: Introductionmentioning

confidence: 99%

Probing cis-trans isomerization in the S1 state of C2H2 via H-atom action and hot band-pumped IR-UV double resonance spectroscopies

Changala

Baraban

Merer

et al. 2015

The Journal of Chemical Physics

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Articles you may be interested inVibrational energy relaxation of benzene dimer and trimer in the CH stretching region studied by picosecond time-resolved IR-UV pump-probe spectroscopy J. Chem. Phys. 136, 044304 (2012) Probing cis-trans isomerization in the S 1 state of C 2 H 2 via H-atom action and hot band-pumped IR-UV double resonance spectroscopies We report novel experimental strategies that should prove instrumental in extending the vibrational and rotational assignments of the S 1 state of acetylene, C 2 H 2 , in the region of the cis-trans isomerization barrier. At present, the assignments are essentially complete up to ∼500 cm −1 below the barrier. Two difficulties arise when the assignments are continued to higher energies. One is that predissociation into C 2 H + H sets in roughly 1100 cm −1 below the barrier; the resulting quenching of laser-induced fluorescence (LIF) reduces its value for recording spectra in this region. The other difficulty is that tunneling through the barrier causes a staggering in the K-rotational structure of isomerizing vibrational levels. The assignment of these levels requires data for K values up to at least 3. Given the rotational selection rule K ′ − ℓ ′′ = ±1, such data must be obtained via excited vibrational levels of the ground state with ℓ ′′ > 0. In this paper, high resolution H-atom resonance-enhanced multiphoton ionization spectra are demonstrated to contain predissociated bands which are almost invisible in LIF spectra, while preliminary data using a hyperthermal pulsed nozzle show that ℓ ′′ = 2 states can be selectively populated in a jet, giving access to K ′ = 3 states in IR-UV double resonance. C 2015 AIP Publishing LLC. [http://dx

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New vibrational assignments in the Ā¹A_u-[Xtilde]¹Σ⁺_gelectronic transition of acetylene, C₂H₂: the v′₁frequency

Cited by 23 publications

References 22 publications

Stretch-bend combination polyads in the Ã1Au state of acetylene, C2H2

Stretch-bend combination polyads in the Ã1Au state of acetylene, C2H2

Reduced dimension discrete variable representation study of cis–trans isomerization in the S1 state of C2H2

Probing cis-trans isomerization in the S1 state of C2H2 via H-atom action and hot band-pumped IR-UV double resonance spectroscopies

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