THz extended spectrum of the monodeuterated methyl formate (DCOOCH3)

THz extended spectrum of the monodeuterated methyl formate \(DCOOCH3\)⋆

Context. Laboratory spectral recordings and an accurate molecular spectral analysis of any potential interstellar molecule are essential for generating a complete spectroscopic line list. This permits predicting the frequencies and intensities of any transition so that subsequently, it can be identified in the interstellar medium. Aims. Our analysis of DCOOCH3 aims to provide a comprehensive sp...

TIMASSS : The IRAS16293-2422 Millimeter And Submillimeter Spectral Survey: Tentative Detection of Deuterated Methyl Formate (DCOOCH3)

Hyperpolarized long-lived nuclear spin states in monodeuterated methyl groups.

Monodeuterated methyl groups may support a long-lived nuclear spin state, with a relaxation time exceeding the conventional spin-lattice relaxation time T1. Dissolution-DNP (dynamic nuclear polarization) may be used to hyperpolarize such a long-lived spin state. This is demonstrated for the CH2D groups of a piperidine derivative. The polarized sample is manipulated in the ambient magnetic field...

Ab Initio Study of the Rotational-torsional Spectrum of Methyl Formate

The molecular structure of methyl formate is determined from ab initio calculations. The molecule presents two conformers (cis and trans) with a 5.3 kcal mol 1 difference in energy. In the most stable cis conformer, the carbonyl group eclipses the methyl group. The internal rotation barriers are V3(cis) 1⁄4 368 cm 1 and V3(trans) 1⁄4 26 cm 1 for the methyl group and V CO 1⁄4 4826 cm 1 for the C...

The Laboratory Millimeter-wave Spectrum of Methyl Formate in Its Ground Torsional E State

Over 250 rotational transitions of the internal rotor methyl formate (HCOOCH3 ) in its ground ( V1 = 0) degenerate (E) torsional substate have been measured in the millimeter-wave spectral region. These data and a number of E-state lines identified by several other workers have been analyzed using an extension of the classical principal-axis method in the high barrier limit. The resulting rotat...