Microwave spectra of 2-phenylethyl methyl ether and 2-phenylethyl methyl ether-argon: Conformation-dependent tunneling and complexation

Add time:07/13/2019    Source:sciencedirect.com

High-resolution rotational spectra were recorded for 2-phenylethyl methyl ether and the 2-phenylethyl methyl ether – argon complex using a cavity-based Fourier transform microwave spectrometer. The spectra were assigned to the aao and g−ao monomer conformations and the g−ao – argon complex. Small tunneling splittings arising from more than one internal motion were resolved for eight transitions of the aao conformer; no tunneling splittings were observed in the spectra of the g−ao conformer or the argon complex. The calculated barriers (ωB97XD/6-311++G(d,p)) for methyl and phenyl internal rotations were found to be very similar for both conformers. The observation of tunneling splittings is limited to the aao conformer by relatively large barriers for the internal motions and sensitivity to the rotor axis angles within the two conformers.

We also recommend Trading Suppliers and Manufacturers of 4-methyl-2-(2-phenylethyl)-1,3-dioxane (cas 5445-64-7). Pls Click Website Link as below: cas 5445-64-7 suppliers

Prev:LC-MS-guided isolation of anti-inflammatory 2-(2-phenylethyl)chromone dimers from Chinese agarwood (Aquilaria sinensis)
Next:Spectroscopic and theoretical studies of dual fluorescence in 2-hydroxy-n-(2-phenylethyl)benzamide induced by ESIPT process – Solvent effects)