Analysis of thyme essential oils using gas-phase broadband rotational spectroscopy

Abstract

A semi-quantitative analysis as well as determination of the structures and internal dynamics of components of two natural essential oils have been carried out using rotational spectroscopy.

Rotational analysis of naphthol-aromatic ring complexes stabilized by electrostatic and dispersion interactions

“…Determining the abundances of the different species present, based on the intensities of rotational transitions, can be a challenging task (see ref. 60 for a complete discussion). We focused our analysis on a rather narrow frequency range (5-6 GHz) where the frequency dependence of the various components of the broadband spectrometer should be negligible.…”

“…This abundance estimation was done following the steps reported in ref. 60, and it is based on the proportionality of the relative intensities of the a-type transitions with respect to the square of the corresponding dipole-moment component in the CP-FTMW experiment. In the absence of experimental dipole moments theoretical values are used.…”

A Scent of Peppermint—A Microwave Spectroscopy Analysis on the Composition of Peppermint Oil

“…Another technique that is aimed at studying molecules in the gas phase is broadband rotational spectroscopy. One of its main advantages is the fact that it provides unambiguous signatures of molecular components, even in complex mixtures [15,16]. Since the rotational parameters of molecular species depend on the moments of inertia, and thus on the distribution of atomic masses in the molecule, it is highly sensitive even to only small structural or mass changes.…”

Direct regioisomer analysis of crude reaction mixtures via molecular rotational resonance (MRR) spectroscopy

“…[23][24][25][26][27] Several recent studies have also demonstrated the capability for rotational spectroscopy to resolve numerous mixture components without purication. 24,[28][29][30] As a result, MRR has become suitable for characterization of compounds of industrial and pharmaceutical relevance. 31 MRR identies molecules through characterization of their pure rotational transitions in the gas phase, the energies of which are governed by their molecular rotational constants.…”

“… 23 – 27 Several recent studies have also demonstrated the capability for rotational spectroscopy to resolve numerous mixture components without purification. 24 , 28 – 30 As a result, MRR has become suitable for characterization of compounds of industrial and pharmaceutical relevance. 31 …”