Search Results (7)

Rotational spectra for hexafluoroacetone imine, the singly substituted ¹³C isotopologues, and the ¹⁵N isotopologue, have been recorded using both cavity and chirped pulse Fourier transform microwave spectrometers. The spectra observed present as being doubled with separations between each pair of transitions being on the order of a few tens of kilohertz which is consistent with a large amplitude motion producing two torsional substates. The observed splitting is most likely due to the combined motions of the CF3 groups, for which the calculated barrier is small. However, no transitions between states could be observed and, similarly, no Coriolis coupling parameters were required to achieve a satisfactory fit for the transition frequencies. Hence, and somewhat curiously, the two states have been fit independently of each other such that the two states may simply be considered near-equivalent conformers. The structural properties of hexafluoroacetone imine are compared with two isoelectronic molecules hexafluoroisobutene and hexafluoroacetone. Rotational constants, quartic centrifugal distortion constants, and the ¹⁴N nuclear electric quadrupole coupling tensor have been determined and are presented together with supporting quantum chemical calculations. Full article

In the last years, the development of broadband chirped-pulse Fourier transform microwave spectrometers has revolutionized the field of rotational spectroscopy. Currently, it is possible to experimentally obtain a large quantity of spectra that would be difficult to analyze manually due to two main reasons. First, recent instruments allow obtaining a considerable amount of data in very short times, and second, it is possible to analyze complex mixtures of molecules that all contribute to the density of the spectra. AUTOFIT is a spectral assignment software application that was developed in 2013 to support and facilitate the analysis. Notwithstanding the benefits AUTOFIT brings in terms of automation of the analysis of the accumulated data, it still does not guarantee a good performance in terms of execution time because it leverages the computing power of a single computing machine. To cater to this requirement, we developed a parallel version of AUTOFIT, called HS-AUTOFIT, capable of running on high-performance computing (HPC) clusters to shorten the time to explore and analyze spectral big data. In this paper, we report some tests conducted on a real HPC cluster aimed at providing a quantitative assessment of HS-AUTOFIT’s scaling capabilities in a multi-node computing context. The collected results demonstrate the benefits of the proposed approach in terms of a significant reduction in computing time. Full article

Based on chirp transform and pulse compression technology, chirp transform spectrometers (CTSs) can be used to perform high-resolution and real-time spectrum measurements. Nowadays, they are widely applied for weather and astronomical observations. The surface acoustic wave (SAW) filter is a key device for pulse compression. The system performance is significantly affected by the dispersion characteristics match and the large insertion loss of the SAW filters. In this paper, a linear phase sampling and accumulating (LPSA) algorithm was developed to replace the matched filter for fast pulse compression. By selecting and accumulating the sampling points satisfying a specific periodic phase distribution, the intermediate frequency (IF) chirp signal carrying the information of the input signal could be detected and compressed. Spectrum measurements across the entire operational bandwidth could be performed by shifting the fixed sampling points in the time domain. A two-stage frequency resolution subdivision method was also developed for the fast pulse compression of the sparse spectrum, which was shown to significantly improve the calculation speed. The simulation and experiment results demonstrate that the LPSA method can realize fast pulse compression with adequate high amplitude accuracy and frequency resolution. Compared to existing digital pulse compression technology, this method can significantly reduce the number of required calculations, especially for measurements of sparse signals. Full article

The classical two-channel push-pull chirp transform spectrometer (CTS) has been widely applied in satellite-borne remote sensing systems for earth observation and deep space exploration. In this paper, we present two simplified structures with single M(l)-C(s) CTS arrangements for the spectral analysis of stationary signals. A simplified CTS system with a single M(l)-C(s) arrangement and a time delay line was firstly developed. Another simplified structure of CTS with a M(l)-C(s) arrangement and a frequency conversion channel was also developed for spectral analysis of stationary signals. Simulation and experiment results demonstrate that the two simplified arrangements can both realize spectrum measurement for the stationary signals and obtain the same frequency resolution, amplitude accuracy and system sensitivity as that of the classical two-channel push–pull CTS system. Compared to the classical CTS structure, the two simplified arrangements require fewer devices, save power consumption and have reduced mass. The matching problem between the two channels can be avoided in the two simplified arrangements. The simplified CTS arrangements may have potential application in the spectrum measurement of stationary signals in the field of aviation and spaceflight. Full article

The investigation on microwave spectrum of benzophenone was conducted with a recently constructed broadband chirped-pulse Fourier transform microwave spectrometer with a heating nozzle in the 2–8 GHz range. In this work, 138 b-type pure rotational transitions were assigned to bridge the measuring gap in the microwave region. The rotational constants for benzophenone were accurately determined by a combined microwave data fitting with frequency coverage between 2–14 GHz and have the following values: A = 1692.8892190(119) MHz, B = 412.6446602(43) MHz and C = 353.8745644(43) MHz. Full article

A broadband chirped-pulse Fourier transform microwave spectrometer was used to detect the rotational spectra of the products of a chemical reaction in the gas phase from 1-18 GHz under the supersonic expansion condition. In natural abundance, pure rotational energy level transitions of tert-butyl chloride and its isotopologues (¹³C, ³⁷Cl) were observed and assigned. The rotational spectral parameters (rotational constant, quadrupole coupling constant and centrifugal distortion constant) of these isotopologues were determined. The experimental results are in great agreement with the calculated values of quantum chemistry and the spectral parameters in the literature. The accuracy and the capability for chemical detection of our homemade rotational spectrometer were verified by this experiment. Full article

Chirp transform spectrometer (CTS) has become a powerful tool widely used in spectral analysis nowadays. In this paper, a novel single-channel structure of Chirp transform spectrometer for high-resolution spectrum detection is developed. By adding an additional signal source, a mixer, a power divider, and a combiner, one channel of the classical CTS is replaced and the matching problem between the two channels is avoided. The circuit principle and characteristics of the novel single-channel structure are presented. Two simulation models with ideal devices and nonideal devices for the classical two-channel CTS structure and the improved single-channel structure are built to verify the effectiveness of the novel structure. Simulation results show that the time distributions of the obtained compression pulses resulting from the improved structure are the same as that from the classical two-channel CTS. The obtained amplitudes and spectral resolution are almost the same in both structures with ideal devices. The introduced nonideal devices mainly influence the amplitudes of the output pulses. In addition, an experiment with hardware implementation is verified on real chains. The influence of nonideal devices is measured and analyzed. Compared to the classical two-channel structure of CTS, the modified one-channel arrangement avoids the matching problem between different channels and saves devices. Full article