Orientational and Low-Frequency (0-450 cm-1) Dynamics of Methyl Methacrylate: OHD-RIKES Measurements and DFT Calculations

Dujuan Meng, Sophia Sagala, Adelia Aquino, Edward Quitevis

Research output: Contribution to journalArticlepeer-review

Abstract

This paper presents results of a study in which optical heterodyne-detected Raman-induced Kerr effect spectroscopy (OHD-RIKES) and density functional theory (DFT) were used to glean information about the low-frequency (0-450 cm-1) intramolecular and intermolecular dynamics and picosecond reorientational dynamics of methyl methacrylate (MMA) as a function of temperature. Based on DFT calculations, the two intramolecular bands at 220 and 380 cm-1 in this spectral region are assigned, respectively, to the (O)CH3 torsional and C=C out-of-plane modes of the cis-conformer of MMA. In the 2-40 ps time range, the OHD-RIKES response of MMA can be well fit by a biexponential decay function with a fast component (relaxation time τ1) associated with intermolecular dynamics, and a slow component (relaxation time τ2) associated with collective reorientation. The temperature dependence of τ2 can be understood in
Original languageEnglish
Pages (from-to)115004(13 pages)
JournalJournal of Molecular Liquids
StatePublished - Dec 10 2020

Fingerprint

Dive into the research topics of 'Orientational and Low-Frequency (0-450 cm-1) Dynamics of Methyl Methacrylate: OHD-RIKES Measurements and DFT Calculations'. Together they form a unique fingerprint.

Cite this