Vibration-rotation spectrum of N2O in the region of the lowest fundamental ν2

Jolma, K.; Kauppinen, J.; Horneman, V.‐M.

doi:10.1016/0022-2852(83)90133-9

Cited by 38 publications

(3 citation statements)

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“…Calculated and Experimental Normal-Mode Frequencies of Various Isotopomers a 1 expt. .424 2223.757 1286.003 1284.903 588.729 588.768 447 2221.012 2220.074 1263.532 1264.704 586.264 586.362 448 2218.085 2216.711 1243.136 1246.885 584.074 584.225 456 2176.677 2177.657 1284.090 1280.354 575.272 575.434 546 2201.880 2201.605 1269.392 1269.892 585.225 585.312 556 2153.347 2154.726 1267.940 1265.334 571.685 571.894Amiot [1976] andJolma et al [1983].…”

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Isotopomer fractionation in the UV photolysis of N₂O: 2. Further comparison of theory and experiment

2008

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[1] Wavelength-dependent fractionation of various isotopomers in the photodissociation of N 2 O is studied. The absorption cross sections are calculated by a time-independent reflection principle, related to the treatment but now with an inclusion of the NN stretching coordinate and both the 2A 0 and 1A 00 electronic excited states. The added 1A 00 state is found to have little effect on both the absorption cross section and the fractionation. The improvements include more physical details in the photodissociation of N 2 O, while maintaining an advantage of a treatment in the work by Prakash et al. (2005) that was not computationally intensive. The present calculated fractionation, without a significant adjustable parameter, gives good agreement with experiments in the absorption cross section in the low-energy region, the important region for the experimentally observed isotopic fractionation.

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Isotopomer fractionation in the UV photolysis of N₂O: 2. Further comparison of theory and experiment

2008

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“…During the seventies and eighties of the previous century the lowest fundamental bands of nitrous oxide (N 2 O) and carbon dioxide (CO 2 ) were measured for calibration purposes in the infrared laboratory of Oulu several times [1][2][3][4]. The latest measurements were performed with a just newly designed Fourier transform spectrometer provided with the large cube corner interferometer mirrors [5,6] in 1985.…”

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High accurate peak positions for calibration purposes with the lowest fundamental bands ν2 of N2O and CO2

Horneman

2007

Journal of Molecular Spectroscopy

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“…The measurement was carried out at room temperature. The spectra were calibrated with N 20 lines [7], The resolution was about 0.04 cm -1, and the absolute wavenumber accuracy of the line positions measured with a peak-finder routine is 0.001 cm -1 for unblended lines. The sample of HCCCN was prepared from HCCCHNOH and P 4 0 10 • The observed spectra of the v5 and v6 fundamental bands exhibit typical 17 -I band structure with an intense Q branch at the center and relatively weak P and R branches.…”

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The υ₅ and υ₆ Fundamental Bands of HCCCN1

Yamada

Bürger

1986

Zeitschrift Für Naturforschung A

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The bending fundamental bands o f HCCCN, v< and v6, have been recorded in the region from 470 to 700 cm -1 with a resolution o f 0.04 cm "' using an FT spectrometer. The band centers have been determined precisely; v5 = 663.2220(10) and v6 = 498.8022(10) cm -1 . From the ob tained effective rotational constants, the sign o f the /-type doubling constants has been deter mined to be positive for the v5 = 1 and r6 = 1 vibrational states.To our surprise no high resolution infrared study has been reported for the three bending fundamen tals of cyanoacetylene, HCCCN. The spectra of these bands had been measured with low resolution by Turrell et al. [1] and Job and King [2]. The band origins were roughly determined by them to be v5 = 663, v6= 500, and v7 = 230 cm -1. The last number was obtained from the Raman spectrum in liquid phase [2]. On the other hand the rotational spectra of this molecule have been studied very extensively for the ground vibrational states [3], and for several excited vibrational states [4 ,5 ,6]. The rotational constants of this molecule in these low energy ex cited states have been determined very precisely. However, the vibrational energy and the sign of the /-type doubling constants can not be obtained from the pure rotational spectra. The present study was thus carried out in order to determine those for the v5 and v6 fundamental bending states.The spectra were obtained by a Nicolet Series 8000 vacuum spectrometer equipped with a 3 pm Mylar beam splitter and a C u:G e detector, using a cell of 18.7 cm path length and a gas pressure of about 600 Pa. The measurement was carried out at room temperature. The spectra were calibrated with N 20 lines The observed spectra of the v5 and v6 fundamental bands exhibit typical 17 -I band structure with an intense Q branch at the center and relatively weak P and R branches. Figures 1 and 2 show the v5 and v6 band observed in the present work. For both fun damental bands, the Q branch shows a band head structure at the low frequency side formed by the unresolved low-J components. We have analyzed 145 P and R branch transitions from P (80) to R (75) for the v5 band and 105 transitions from P (58) to R (57) for the v6 band. The measured tran sition wavenumbers of these P and R branch tran sitions were analyzed by least squares fits using the following empirical expression: (1) where v0 is the band center, B's are the effective rotational constants, and D's are the centrifugal dis tortion constants. The lower vibrational state was the ground state for the present cases. The constants for the ground state, B" and D", were fixed at the values obtained by microwave spectroscopy [3], and the three parameters, v0, B', and D', were deter mined by a least squares analysis. Since the vibra tional angular momentum is not zero in both v5 = 1 and ^6=1 states, i.e. / = 1, the parameters for the upper state in Eq. (1) include effectively the /-de pendent contributions as well as the /-type doubling contributions.The obtained standard deviation of the fits re flected fai...

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Vibration-rotation spectrum of N2O in the region of the lowest fundamental ν2

Cited by 38 publications

References 11 publications

Isotopomer fractionation in the UV photolysis of N₂O: 2. Further comparison of theory and experiment

Isotopomer fractionation in the UV photolysis of N₂O: 2. Further comparison of theory and experiment

High accurate peak positions for calibration purposes with the lowest fundamental bands ν2 of N2O and CO2

The υ₅ and υ₆ Fundamental Bands of HCCCN1

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Vibration-rotation spectrum of N2O in the region of the lowest fundamental ν2

Cited by 38 publications

References 11 publications

Isotopomer fractionation in the UV photolysis of N2O: 2. Further comparison of theory and experiment

Isotopomer fractionation in the UV photolysis of N2O: 2. Further comparison of theory and experiment

High accurate peak positions for calibration purposes with the lowest fundamental bands ν2 of N2O and CO2

The υ5 and υ6 Fundamental Bands of HCCCN1

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Isotopomer fractionation in the UV photolysis of N₂O: 2. Further comparison of theory and experiment

Isotopomer fractionation in the UV photolysis of N₂O: 2. Further comparison of theory and experiment

The υ₅ and υ₆ Fundamental Bands of HCCCN1