Infrared spectra of H2CO, H213CO, D2CO, and D213CO and anomalous values in vibrational force fields

Margaret M. Wohar; Paul W. Jagodzinski

doi:10.1016/0022-2852(91)90030-E

Infrared spectra of H₂CO, H₂¹³CO, D₂CO, and D₂¹³CO and anomalous values in vibrational force fields

Margaret M. Wohar, Paul W. Jagodzinski

Research output: Contribution to journal › Article › peer-review

39 Scopus citations

Abstract

The infrared spectra of gaseous formaldehyde-¹³C and -¹³C, D₂ were collected and the harmonic frequencies were determined using Dennison's Rule. Coupled with data from formaldehyde and formaldehyde-D₂, general harmonic force fields were determined based on H₂CO and H₂¹³CO, D₂CO and D₂¹³CO, and all four isotopic species for both observed and harmonized frequencies. It was found that anomalous values of the CH (D) stretch-bend interaction force constants are obtained when data from all four isotopic species are fit.

Original language	English (US)
Pages (from-to)	13-19
Number of pages	7
Journal	Journal of Molecular Spectroscopy
Volume	148
Issue number	1
DOIs	https://doi.org/10.1016/0022-2852(91)90030-E
State	Published - Jul 1991
Externally published	Yes

ASJC Scopus subject areas

Atomic and Molecular Physics, and Optics
Spectroscopy
Physical and Theoretical Chemistry

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10.1016/0022-2852(91)90030-E

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title = "Infrared spectra of H2CO, H213CO, D2CO, and D213CO and anomalous values in vibrational force fields",

abstract = "The infrared spectra of gaseous formaldehyde-13C and -13C, D2 were collected and the harmonic frequencies were determined using Dennison's Rule. Coupled with data from formaldehyde and formaldehyde-D2, general harmonic force fields were determined based on H2CO and H213CO, D2CO and D213CO, and all four isotopic species for both observed and harmonized frequencies. It was found that anomalous values of the CH (D) stretch-bend interaction force constants are obtained when data from all four isotopic species are fit.",

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year = "1991",

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AU - Wohar, Margaret M.

AU - Jagodzinski, Paul W.

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Y1 - 1991/7

N2 - The infrared spectra of gaseous formaldehyde-13C and -13C, D2 were collected and the harmonic frequencies were determined using Dennison's Rule. Coupled with data from formaldehyde and formaldehyde-D2, general harmonic force fields were determined based on H2CO and H213CO, D2CO and D213CO, and all four isotopic species for both observed and harmonized frequencies. It was found that anomalous values of the CH (D) stretch-bend interaction force constants are obtained when data from all four isotopic species are fit.

AB - The infrared spectra of gaseous formaldehyde-13C and -13C, D2 were collected and the harmonic frequencies were determined using Dennison's Rule. Coupled with data from formaldehyde and formaldehyde-D2, general harmonic force fields were determined based on H2CO and H213CO, D2CO and D213CO, and all four isotopic species for both observed and harmonized frequencies. It was found that anomalous values of the CH (D) stretch-bend interaction force constants are obtained when data from all four isotopic species are fit.

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Infrared spectra of H₂CO, H₂¹³CO, D₂CO, and D₂¹³CO and anomalous values in vibrational force fields

Abstract

ASJC Scopus subject areas

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