A Reinvestigation of the cΠ–X1Σ+ (0–0) Absorption Band of Carbon Monoxide

Baker, Jacob; Launay, Françoise; Eidelsberg, M.; Rostas, F.

doi:10.1006/jmsp.2000.8185

Cited by 8 publications

(22 citation statements)

References 25 publications

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“…Since both the c 3 ⌸ and C 1 ⌺ + states are Rydberg in character with the same X 2 ⌺ + CO + ionic core, they would be expected to have similar 24 The observed band occurs at Ϸ2150 cm −1 to the higher-energy side of the c -X ͑0-0͒ band. 9,12 Hence, this provides a case for a c -X͑1-0͒…”

Section: Results and Analysismentioning

confidence: 96%

“…28 The homogeneous interaction between the two states was represented by the interaction term ͗c 3 ⌸ i ͑v =1͉͒H͉k 3 ⌸ i ͑v =5͒͘ = W, where i =0-2. 9,29 The three term values derived from Berden et al 20 and given in Table I were included in the molecular fit in addition to the transition energies of the absorption lines measured and assigned in this study for the k -X ͑5-0͒ and c -X ͑1-0͒ bands and given in Tables II and III, Table IV. Table I were also included in the fit.…”

Section: Final Analysis and Discussionmentioning

confidence: 99%

“…17 Six rotational levels of the k 3 ⌸ ͑v =2͒ state have been observed by Berden et al,20 up to J = 2, while Mellinger and Vidal 19 in a double-resonance study observed rotational levels up to J = 5. The k 3 ⌸ ͑v =2͒ state is perturbed by the c 3 ⌸ ͑v =0͒ state, 9,12 and recently a set of deperturbed molecular constants for the k 3 ⌸ ͑v =2͒ state has been generated. 12 Molecular constants for the v = 0 level were obtained from the study of Berden et al 20 Figure 5 compares the molecular constants of the k 3 ⌸ ͑v =5͒ state obtained in this study with the molecular constants of the other known vibrational levels reported in the above previous studies.…”

Section: Final Analysis and Discussionmentioning

confidence: 99%

“…[1][2][3][4][5][6] The v = 0 level has also been observed in near-IR fluorescence to the b 3 ⌺ + Rydberg state 7 and in vacuum-ultraviolet ͑vuv͒ absorption from the ground state. [8][9][10] It has also been observed in multiphoton absorption via the aЈ 3 ⌺ + state. 11 It is moderately perturbed having an apparent anomalous sign of the centrifugal distortion constant.…”

Section: Introductionmentioning

confidence: 99%

“…This perturbation is due to a homogeneous interaction with the k 3 ⌸͑v =2͒ valence state. 9 A recent reanalysis of the c 3 ⌸ − b 3 ⌺ + ͑0-0͒ emission band has enabled a set of deperturbed molecular constants to be determined for the c 3 ⌸ ͑v =0͒ state. 12 There is less information available for the v = 1 level of the c 3 ⌸ state and what is available appears contradictory.…”

Section: Introductionmentioning

confidence: 99%

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Orbital-free embedding applied to the calculation of induced dipole moments in CO2⋯X (X=He, Ne, Ar, Kr, Xe, Hg) van der Waals complexes

Jacob

Wesołowski

Visscher

2005

The Journal of Chemical Physics

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Two new red-degraded bands in the room-temperature vacuum-ultraviolet absorption spectrum of carbon monoxide have been identified in the 94 000-94 500 cm −1 energy region and analyzed. One of the bands at Ϸ94 225 cm −1 ͑106.1 nm͒ has three observable bandheads and is partially overlapped with the strongThe other band at Ϸ94 437 cm −1 ͑105.9 nm͒ with one clear bandhead is assigned to the k 3 ⌸ -X 1 ⌺ + ͑5-0͒ transition. A strong homogeneous perturbation was found to exist between the two upper states that strongly influences the line positions and shapes of these bands. A rotational deperturbation analysis was performed and molecular rotational constants for both upper states were determined. These deperturbed molecular constants are entirely consistent with the expected values for the k 3 ⌸ valence and c 3 ⌸ Rydberg states. The Hamiltonian interaction term between these two states is found to be separable into vibrational and electronic factors and the electronic factor is determined to be H e = 323± 40 cm −1 . A discrepancy in the literature regarding the location of the c 3 ⌸ ͑v =1͒ state is identified and discussed.

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Section: Results and Analysismentioning

confidence: 96%