Infrared and Raman Investigation of Condensed Phases of Methylamine and Its Deuterium Derivatives

Wolff, H.

doi:10.1063/1.1673398

Cited by 8 publications

(7 citation statements)

References 23 publications

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“…Acta 7, 80 (1967). VOLUME 56, NUMBER 11 1 JUNE 1972 Raman Spectra of Gaseous CHaND2' C 2H 5ND 2, and n-C aH 7 The Raman spectra of gaseous CHaND" C2Hr,ND" and n-C3H7ND2, as well as the Raman and the infrared spectra of gaseous CH3NHD, have been measured and analyzed with respect to the amino group vibrations. The asymmetric position of the ND stretching vibration of CHaNHD relative to the ND2 stretching vibrations of CHaNDz is explained by Fermi resonance of the symmetric ND2 stretching vibration with the overtone of the ND2 deformational vibration.…”

mentioning

confidence: 99%

Raman Spectra of Gaseous CH3ND2, C2H5ND2, and n-C3H7ND2. The Raman and Infrared Spectra of Gaseous CH3NHD

Wolff¹,

Ludwig²

1972

The Journal of Chemical Physics

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confidence: 99%

Raman Spectra of Gaseous CH3ND2, C2H5ND2, and n-C3H7ND2. The Raman and Infrared Spectra of Gaseous CH3NHD

Wolff¹,

Ludwig²

1972

The Journal of Chemical Physics

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“…The origin of these two components may be analogous to what is seen in liquid and solid methylamine where the overtone of ν 4 (δ(NH 2 )) is in Fermi resonance with ν 1. Wolff has assigned peaks at 3290 and 3207 cm –1 in liquid methylamine to ν 1 and 2ν 4 of hydrogen-bonded (associated) molecules, whereas in crystalline methylamine, he has assigned peaks at 3260 and 3200 cm –1 to 2ν 4 and ν 1 , respectively, without explanation for the reversed assignments . In condensed phases, the presence of hydrogen-bonding can greatly complicate assignment of vibrational peaks, and distinctly different N–H bonds can be identified depending on whether or not they participate in hydrogen bonding to neighboring molecules.…”

Section: Resultsmentioning

confidence: 99%

“…Wolff lists four peaks in the C−H stretch region for crystalline methylamine, with the two lowest frequency ones at 2879 and 2800 cm −1 due to a Fermi resonance between 2ν 6 and ν 3 , where ν 6 is the symmetric CH 3 deformation and ν 3 is the symmetric CH 3 stretch. 49 Wolff also disputes the assignments of Durig et al 48 of the two higher frequency peaks at 2961 and 2942, which he assigns instead to the ν 11 and ν 2 fundamentals. Although we follow Wolff's assignments in Table 1, the ν 11 fundamental should not be symmetry-allowed for the assumed adsorption geometry of a Gray et al 52 The values of 1455 and 1195 cm −1 were not directly observed for ν 13 and ν with the assumption that it has been red-shifted relative to its value in the solid through its interaction with the Ru surface.…”

Section: Computational Detailsmentioning

confidence: 93%

Spectroscopic Identification of Surface Intermediates in the Decomposition of Methylamine on Ru(001)

et al. 2017

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The thermal decomposition of methylamine on Ru(001) was studied with reflection absorption infrared spectroscopy (RAIRS) and temperature programmed reaction spectroscopy (TPRS). After the multilayer methylamine desorbs at 150 K, the RAIR spectra of the remaining monolayer methylamine undergo small changes due to structural rearrangements but do not indicate any chemical changes until 250 K. The results are in agreement with recent theoretical investigations indicating that CH3 dehydrogenation to produce H x CNH2 species occurs before N–H and C–N bond scission. Experimental spectra of 13C- and 15N-substituted methylamine combined with DFT calculations of H x CNH y fragments attached to a Ru19 cluster to simulate the RAIR spectra, including isotopic shifts, clarified the spectral assignments.

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“…The 3000 -2750 cm −1 region contains the methylamine ice features assigned to the CH 3 stretch mode and overtones of the CH 3 deformation modes. In pure methylamine, the bands in this region are strong, including the overtone modes, whose intensities are enhanced due to Fermi resonance (Durig et al 1968;Wolff 1970;Lavalley & Sheppard 1972).…”

Section: Pure Methylamine Icementioning

confidence: 99%

“…Many solid-state routes have been shown to result in CH 3 NH 2 formation, and given its relevance as an amino acid precursor, it is essential to study this species' solidstate spectral features. The mid-IR spectrum of solid CH 3 NH 2 has been reported in the literature in pure form and isolated in Ar and Kr matrices (Durig et al 1968;Wolff 1970;Durig & Zheng 2001). The infrared spectra of some CH 3 NH 2 -containing ices are reported in previous works (Bossa et al 2009;Kayi et al 2011;Vinogradoff et al 2013), but a systematic study of the mid-infrared spectrum of methylamine recorded for different astrochemical relevant conditions is still lacking.…”

Section: Introductionmentioning

confidence: 99%

Infrared spectra of complex organic molecules in astronomically relevant ice mixtures

Rachid

Brunken

Boe

et al. 2021

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Context. In the near future, high spatial and spectral infrared (IR) data of star-forming regions obtained by the James Webb Space Telescope (JWST) may reveal new solid-state features of various species, including more intriguing classes of chemical compounds. The identification of Complex organic molecules (COMs) in the upcoming data will only be possible when laboratory IR ice spectra of these species under astronomically relevant conditions are available for comparison. For this purpose, systematic series of laboratory measurements are performed, providing high-resolution IR spectra of COMs. Here, spectra of pure methylamine (CH3NH2) and methylamine-containing ices are discussed. Aims. The work is aimed at characterizing the mid-IR (500 -4000 cm −1 , 20 -2.5 µm) spectra of methylamine in pure and mixed ices to provide accurate spectroscopic data of vibrational bands that are most suited to trace this species in interstellar ices. Methods. Fourier transform infrared (FTIR) spectroscopy is used to record spectra of CH3NH2 in the pure form and mixed with H2O, CH4, and NH3, for temperatures ranging from 15 to 160 K. The IR spectra in combination with HeNe laser (632.8 nm) interference data of pure CH3NH2 ice was used to derive the IR band strengths of methylamine in pure and mixed ices. Results. The refractive index of amorphous methylamine ice at 15 K was determined as being 1.30 ± 0.01. Accurate spectroscopic information and band strength values are systematically presented for a large set of methylamine-containing ices and different temperatures. Selected bands are characterized and their use as methylamine tracers is discussed. The selected bands include the following: the CH3 antisymmetric stretch band at 2881.3 cm −1 (3.471 µm), the CH3 symmetric stretch band at 2791.9 cm −1 (3.582 µm), the CH3 antisymmetric deformation bands, at 1455.0 and 1478.6 cm −1 (6.873 µm and 6.761 µm), the CH3 symmetric deformation band at 1420.3 cm −1 (7.042 µm), and the CH3 rock at 1159.2 cm −1 (8.621 µm). Using the laboratory data recorded in this work and ground-based spectra of ices toward YSOs (Young Stellar Objects), upper-limits for the methylamine ice abundances are derived. In some of these YSOs, the methylamine abundance is less than 4% relative to H2O.

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Infrared and Raman Investigation of Condensed Phases of Methylamine and Its Deuterium Derivatives

Cited by 8 publications

References 23 publications

Raman Spectra of Gaseous CH3ND2, C2H5ND2, and n-C3H7ND2. The Raman and Infrared Spectra of Gaseous CH3NHD

Raman Spectra of Gaseous CH3ND2, C2H5ND2, and n-C3H7ND2. The Raman and Infrared Spectra of Gaseous CH3NHD

Spectroscopic Identification of Surface Intermediates in the Decomposition of Methylamine on Ru(001)

Infrared spectra of complex organic molecules in astronomically relevant ice mixtures

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