Raman study of water deposited in solid argon matrix

Mohaček-Grošev, Vlasta; Furić, Krešimir; Vujnović, Vedran

doi:10.1016/j.saa.2021.120770

Cited by 3 publications

(2 citation statements)

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“…Liquid tetrahydofuran was purchased from VWR company; it had a purity > 99% and was used as such. The experimental setup for Raman matrix isolation experiments has been described previously [23,24]; therefore, we briefly stress the main points. A closed-cycle helium cryostat is used for the cooling of the cold finger in the sample chamber onto which a gold-plated surface is fixed.…”

Section: Methodsmentioning

confidence: 99%

Low Temperature Raman Spectroscopy of Tetrahydrofuran: Phonon Spectra Compared to Matrix Isolation Spectra in Air

Mohaček-Grošev

2024

Crystals

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The conformation of tetrahydrofuran (THF) molecules in vapor has been the subject of considerable computational and experimental studies, the most recent by Park and Kwon stated that the difference between the most stable, twisted C2 conformer and the bent Cs conformer is 17 ± 15 cm−1. Because of low symmetry, all modes from both conformers are allowed in the Raman and infrared spectra. In 1982, Aleksanyan and Antipov observed the emergence of two Raman bands at 249 and 303 cm−1 at 20 K, while only one band at 293 cm−1 was present in solid THF at 142. They assigned the 249 cm−1 band to the restricted pseudorotational motion of THF in the solid state, because on heating, the band diminishes and is too weak to be observed near melting point (at 142 K). Cadioli et al. reported a study of the vibrational spectrum of tetrahydrofuran, giving a complete assignment of all bands including those present in the low-temperature Raman spectrum at 85 K and infrared bands observed at 90 K. They assigned the band at 242 cm−1 in the Raman spectrum at 85 K as an overtone of the lowest normal mode (pseudorotational mode), while the 299 cm−1 band in the same spectrum was assigned as a radial mode. In the following, low-temperature Raman spectra of solid THF together with the Raman matrix isolated spectrum of THF in air will be presented and compared to published data. Our results indicate that the band observed at 245 cm−1 at 10 K is too strong to be assigned as an overtone, since its intensity is of the same magnitude as the 299 cm−1 band.

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Section: Methodsmentioning

confidence: 99%

Low Temperature Raman Spectroscopy of Tetrahydrofuran: Phonon Spectra Compared to Matrix Isolation Spectra in Air

Mohaček-Grošev

2024

Crystals

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“…44 More recently, Mohac ˇek-Gros ˇev et al published the first Raman spectra of matrix-isolated water clusters. 45 On the theory side, the (to our knowledge) most recent Raman activities for water clusters were published by Cybulski and Sadlej, 46 calculated using B3LYP density functional theory and a basis set with an increased number of polarization functions (d-aug-cc-pVDZ). They found that for the dimer and cyclic clusters up to the cyclic hexamer, the lowest frequency OH stretching vibration should dominate the Raman spectrum by far, with a Raman activity that is proportional to the size of the cluster to a good approximation.…”

Section: Introductionmentioning

confidence: 99%