Infrared and Raman Spectra of Spiropentane-H<sub>8</sub>

Burns, Gary R.; McGavin, DG

doi:10.1366/000370272774351778

Cited by 9 publications

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“…The experimental wavenumber values assigned for spiropentane by Burns and McGavin[4] suggest other combinations in this region involving ν 3 , ν 8 , and ν 11 fundamentals. These are not considered here since, as discussed in our earlier paper[6], we believe these to be misassignments since their assigned values differ significantly from the theoretical values, by −119, −85, and +116 cm −1 , respectively.…”

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confidence: 89%

“…We have now extended those analyses and added the analysis of band, ν 22, near 1052 cm −1 . Theoretical mode numbering, symmetry, and assigned values [4] The spectrum of spiropentan wavenumber fundamental bands, ν 12 temperature about 61% of the molecules the two lowest vibrational states, with Consequently, the spectrum will generally have many unassigned transitions.…”

Section: Introductionmentioning

confidence: 99%

“…In that study of the high resolution infrared spectrum of spiropentane, partial analyses of several fundamental bands and two combination bands were used to give ground state combination-differences to determine accurate values for the rotational constants of spiropentane in the ground state. We have now extended those analyses and added the analysis of another fundamental band, a perpendicular heoretical ν 0 and intensity values for the fundamentals, along with mode numbering, symmetry, and assigned values [4] are given in our previous paper [6].…”

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Analysis of several high-resolution infrared bands of spiropentane, C5H8

Maki¹,

Price

Harzan

et al. 2015

Journal of Molecular Spectroscopy

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The high-resolution infrared absorption spectrum of spiropentane (C 5 H 8) has been measured from 200 to 4000 cm −1 , and a detailed analysis is presented for eight bands in the region from 700 to 2200 cm −1. Two fundamental perpendicular bands were analyzed, ν 22 and ν 24 near 1050 and 780 cm −1 , respectively, along with two fundamental parallel bands, ν 14 and ν 16 near 1540 and 990 cm −1 , respectively. Two other fundamentals, ν 17 and ν 23 , are seen as intense overlapping bands near 880 cm −1 and are Coriolis-coupled, producing a complex mixture in which only Pbranch transitions could be tentatively assigned for ν 17. In addition, three binary combination bands were fit at about 1570, 2082, and 2098 cm −1 which are assigned as either 2ν 24 or ν 5 +ν 16 in the first case, ν 4 +ν 22 in the second case, and 2ν 22 in the latter case. The two l-type resonance constants, q + and q − , were determined for each of the two perpendicular fundamentals ν 22 and ν 24. Those two constants were also responsible for splittings observed in the K = 3 levels of ν 24. For the ground state the order of the split K = 2 B 1 /B 2 levels has been reversed from that reported previously, based on the measurements and assignments for the ν 24 band. Rovibrational parameters deduced from the analyses are compared with those obtained from density functional Gaussian calculations at the anharmonic level.

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confidence: 89%

Section: Introductionmentioning

confidence: 99%

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