The electronic state of monodeuterated acetylene

Auwera, J. Vander; Huet, T. R.; Herman, Michel; Hamilton, C. E.; Kinsey, James L.; Field, Robert W.

doi:10.1016/0022-2852(89)90181-1

Cited by 27 publications

(4 citation statements)

References 41 publications

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“…He was the one to unravel from these spectroscopic data several remaining issues around the very peculiar A X − % % electronic transition [12][13][14], later extended to additional isotopologues [15][16][17][18][19]. This study indirectly highlighted perturbations in the bending vibrational ladder of states in GS acetylene, isotopologue-specific [20][21][22][23].…”

Section: Insert Figurementioning

confidence: 99%

The acetylene ground state saga

Herman

2007

Molecular Physics

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Section: Insert Figurementioning

confidence: 99%

The acetylene ground state saga

Herman

2007

Molecular Physics

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“…In this paper, the laser induced fluorescence spectra of doubly-substituted 13 C acetylene are analyzed and the rotational constants and band-origins of six Franck−Condon bright states involving ν 2 ′ (CC-stretch) and ν 3 ′ (trans-bend) are determined, namely nν 3 ′ (n = 0−2) and ν 2 ′ + nν 3 ′ (n = 0−2) levels. On the basis of the rotational constants of various isotopologues of acetylene 4,17,18 (including those reported here), we are able to refine the geometry of the S 1 trans conformer of acetylene, derived previously by Huet et al 18 We also obtain more accurate harmonic force constants for S 1 acetylene that are more complete than those derived from Tobiason's force field analysis; 19 to do this, we combine previous experimental [4][5][6][7]17,20 as well as theoretical 14 studies of S 1 acetylene. The most significant contribution of our present work is the inclusion of all of the x ij anharmonicities, both diagonal and off-diagonal, in the determination of the harmonic frequencies, in addition to the inclusion of the corrected ν 1 fundamental frequency of 12 C 2 H 2 , 7 as well as two fundamental frequencies of 13 C 2 H 2 , determined in this work.…”

Section: Introductionmentioning

confidence: 67%

Laser-Induced Fluorescence Study of the S₁ State of Doubly-Substituted ¹³C Acetylene and Harmonic Force Field Determination

et al. 2013

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In the first half of this study, rotational and vibrational constants of six Franck-Condon bright vibrational levels of S1 doubly-substituted (13)C acetylene are determined from laser-induced fluorescence spectra and an updated geometry of the trans conformer of S1 acetylene is obtained. In the second half, we determine the quadratic force field of S1 acetylene on the basis of the harmonic frequencies of four isotopologues of acetylene. The effects of both diagonal and off-diagonal x(ij) anharmonicities are removed from the input harmonic frequencies. Results from both experimental and theoretical studies of various isotopologues of acetylene (including those from the first half of this paper) are used to obtain a set of force constants that agrees well with ab initio calculations. Our set of force constants for S1 acetylene is an improvement over previous work by Tobiason et al., which did not include off-diagonal anharmonicities.

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“…Figure shows the LIF and SP spectra measured for the ( n = 2−4) bands of the Ã 1 A u −X̃ 1 Σ g + transition of acetylene. − The relative intensities of the LIF and SP spectra in the figure are arbitrary. The distinct and confined rotational structures indicate that the observed LIF and SP spectra are due to jet-cooled C 2 H 2 .…”

Section: Resultsmentioning

confidence: 99%

Formation of Metastable Triplet Acetylene from the Ã(¹A_u) State Near the Dissociation Threshold

Shi

Suzuki

1998

J. Phys. Chem. A

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The triplet metastable states of acetylene produced by intersystem crossing from the Ã(1Au) state have been detected by a sensitized phosphorescence (SP) method. The phosphorescence was observed from C2H2 in the energy region below the barrier to dissociation in the ã state suggested by Hashimoto and Suzuki [J. Chem. Phys. 1996, 104, 6070]. The lifetimes of the triplet states coupled with the V3K and V4K1 levels in the Ã(1Au) state were estimated to be 80 and 100 μs. The rotational structures of the laser-induced fluorescence and SP spectra were similar, except that the enhancement of many weak absorption lines makes the latter more congested. The feature of the SP spectrum exemplifies the complicated singlet−triplet mixing at the V3K1 level. The SP signal was observed with different phosphors, where benzil was found to be the most sensitive. The SP spectrum of C2D2 was observed only by using benzil. In addition to SP, the collision of metastable triplet acetylene with a phosphor surface yielded fluorescence. This is most likely to be fluorescence from the Ã(1Au) state of acetylene. The lifetime of the triplet states and the threshold energy to dissociation in C2H2 and C2D2 suggest that tunneling occurs on the ã state and that the energy barrier to dissociation is higher than the previous estimation.

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The electronic state of monodeuterated acetylene

Cited by 27 publications

References 41 publications

The acetylene ground state saga

The acetylene ground state saga

Laser-Induced Fluorescence Study of the S₁ State of Doubly-Substituted ¹³C Acetylene and Harmonic Force Field Determination

Formation of Metastable Triplet Acetylene from the Ã(¹A_u) State Near the Dissociation Threshold

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The electronic state of monodeuterated acetylene

Cited by 27 publications

References 41 publications

The acetylene ground state saga

The acetylene ground state saga

Laser-Induced Fluorescence Study of the S1 State of Doubly-Substituted 13C Acetylene and Harmonic Force Field Determination

Formation of Metastable Triplet Acetylene from the Ã(1Au) State Near the Dissociation Threshold

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Laser-Induced Fluorescence Study of the S₁ State of Doubly-Substituted ¹³C Acetylene and Harmonic Force Field Determination

Formation of Metastable Triplet Acetylene from the Ã(¹A_u) State Near the Dissociation Threshold