Fourier Transform Microwave Spectroscopy - An Improved Tool for Investigation of Rotational Spectra

1995 ◽  
Vol 99 (12) ◽  
pp. 1451-1461 ◽  
Author(s):  
Helmut Dreizler
Keyword(s):  
Fourier Transform ◽  
Microwave Spectroscopy ◽  
Rotational Spectra ◽  
Fourier Transform Microwave Spectroscopy

scholarly journals Rotational spectra of van der Waals complexes: pyrrole–Ne and pyrrole–Ne2

2020 ◽  
Vol 22 (44) ◽  
pp. 25652-25660 ◽  
Author(s):  
Isabel Peña ◽  
Carlos Cabezas
Keyword(s):  
Fourier Transform ◽  
Van Der Waals ◽  
Microwave Spectroscopy ◽  
Frequency Region ◽  
Van Der Waals Complexes ◽  
Chirped Pulse ◽  
Rotational Spectra ◽  
Fourier Transform Microwave Spectroscopy

Rotational spectra of van der Waals complexes pyrrole–Ne and pyrrole–Ne2 have been investigated by chirped pulse Fourier transform microwave spectroscopy in the 2–8 GHz frequency region.

scholarly journals Electron-withdrawing effects on the molecular structure of 2- and 3-nitrobenzonitrile revealed by broadband rotational spectroscopy and their comparison with 4-nitrobenzonitrile

2018 ◽  
Vol 20 (34) ◽  
pp. 22210-22217 ◽  
Author(s):  
Jack B. Graneek ◽  
William C. Bailey ◽  
Melanie Schnell
Keyword(s):  
Molecular Structure ◽  
Fourier Transform ◽  
Microwave Spectroscopy ◽  
Rotational Spectroscopy ◽  
Frequency Range ◽  
Chirped Pulse ◽  
Rotational Spectra ◽  
Fourier Transform Microwave Spectroscopy

The rotational spectra of 2- and 3-nitrobenzonitrile were recorded via chirped-pulse Fourier transform microwave spectroscopy in the frequency range of 2–8 GHz.

scholarly journals Understanding (coupled) large amplitude motions: the interplay of microwave spectroscopy, spectral modeling, and quantum chemistry

2020 ◽  
Vol 0 (0) ◽  
Author(s):  
Ha Vinh Lam Nguyen ◽  
Isabelle Kleiner
Keyword(s):  
Fourier Transform ◽  
Quantum Chemistry ◽  
Large Amplitude ◽  
Environmental Chemistry ◽  
Broad Band ◽  
Microwave Spectroscopy ◽  
Rotational Spectrum ◽  
Spectral Modeling ◽  
Rotational Spectra ◽  
Large Amplitude Motions

AbstractA large variety of molecules contain large amplitude motions (LAMs), inter alia internal rotation and inversion tunneling, resulting in tunneling splittings in their rotational spectrum. We will present the modern strategy to study LAMs using a combination of molecular jet Fourier transform microwave spectroscopy, spectral modeling, and quantum chemical calculations to characterize such systems by the analysis of their rotational spectra. This interplay is particularly successful in decoding complex spectra revealing LAMs and providing reference data for fundamental physics, astrochemistry, atmospheric/environmental chemistry and analytics, or fundamental researches in physical chemistry. Addressing experimental key aspects, a brief presentation on the two most popular types of state-of-the-art Fourier transform microwave spectrometer technology, i.e., pulsed supersonic jet expansion–based spectrometers employing narrow-band pulse or broad-band chirp excitation, will be given first. Secondly, the use of quantum chemistry as a supporting tool for rotational spectroscopy will be discussed with emphasis on conformational analysis. Several computer codes for fitting rotational spectra exhibiting fine structure arising from LAMs are discussed with their advantages and drawbacks. Furthermore, a number of examples will provide an overview on the wealth of information that can be drawn from the rotational spectra, leading to new insights into the molecular structure and dynamics. The focus will be on the interpretation of potential barriers and how LAMs can act as sensors within molecules to help us understand the molecular behavior in the laboratory and nature.

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