Contribution of Microwave Fourier Transform Spectroscopy to the Investigation of Nuclear Quadrupole Coupling

Dreizler, H.

doi:10.1515/zna-1992-1-259

Microwave Rotational Spectroscopy

Xu¹,

J��ger²

2005

Encyclopedia of Inorganic Chemistry

0

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Since its inception in 1934, microwave rotational spectroscopy has provided some of the most accurate data for numerous small to medium sized molecules, including structural parameters, force field parameters, and electronic charge distributions. We give a very brief review of the history of microwave spectroscopy, leading up to the most recent developments, that is, instruments that use Fourier transform techniques. Since these Fourier transform microwave spectrometers are not commercially available, a brief discussion about their general design is given. Analyses of the recorded rotational spectra can yield a number of spectroscopic parameters, depending on the molecular symmetry and the various angular momenta present, such as nuclear spins and electronic momenta. The physical significance of the more common spectroscopic parameters, such as rotational constants, centrifugal distortion constants, nuclear quadrupole coupling constants, etc. is given. We also indicate how these parameters can be used to characterize the molecule in terms of, for example, structural parameters, dynamical behavior, and bond character. The remainder of the article is devoted to case studies. These include the discovery of covalent bonds involving the noble gas atom argon, structural characterization of organometallic compounds, such as ferrocenes, bonding in diatomic transition metal‐containing compounds, a description of laboratory studies of molecules which are of atmospheric and astrophysical interest, and studies of weakly bound complexes with relevance to inorganic chemistry.

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Microwave Rotational Spectroscopy

Xu

¹

,

Jäger

²

2011

Encyclopedia of Inorganic and Bioinorganic Chemistry

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Since its inception in 1934, microwave rotational spectroscopy has provided some of the most accurate data for numerous small to medium sized molecules, including structural parameters, force field parameters, and electronic charge distributions. We give a very brief review of the history of microwave spectroscopy, leading up to the most recent developments, that is, instruments that use Fourier transform techniques. Since these Fourier transform microwave spectrometers are not commercially available, a brief discussion about their general design is given. Analyses of the recorded rotational spectra can yield a number of spectroscopic parameters, depending on the molecular symmetry and the various angular momenta present, such as nuclear spins and electronic momenta. The physical significance of the more common spectroscopic parameters, such as rotational constants, centrifugal distortion constants, nuclear quadrupole coupling constants, etc. is given. We also indicate how these parameters can be used to characterize the molecule in terms of, for example, structural parameters, dynamical behavior, and bond character. The remainder of the article is devoted to case studies. These include the discovery of covalent bonds involving the noble gas atom argon, structural characterization of organometallic compounds, such as ferrocenes, bonding in diatomic transition metal‐containing compounds, a description of laboratory studies of molecules which are of atmospheric and astrophysical interest, and studies of weakly bound complexes with relevance to inorganic chemistry.

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The Hunt for Elusive Molecules: Insights from Joint Theoretical and Experimental Investigations

Martin-Drumel

¹

,

Baraban

²

,

Changala

³

et al. 2019

Chemistry A European J

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Rotational spectroscopy is an invaluable tool to unambiguously determine the molecular structure of a species, and sometimes even to establish its very existence. This article illustrates how experimental and theoretical state‐of‐the‐art tools can be used in tandem to investigate the rotational structure of molecules, with particular emphasis on those that have long remained elusive. The examples of three emblematic species—gauche‐butadiene, disilicon carbide, and germanium dicarbide—highlight the close, mutually beneficial interaction between high‐level theoretical calculations and sensitive microwave measurements. Prospects to detect other elusive molecules of chemical and astronomical interest are discussed.

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Contribution of Microwave Fourier Transform Spectroscopy to the Investigation of Nuclear Quadrupole Coupling

Cited by 9 publications

References 28 publications

Microwave Rotational Spectroscopy

Microwave Rotational Spectroscopy

Microwave Rotational Spectroscopy

The Hunt for Elusive Molecules: Insights from Joint Theoretical and Experimental Investigations

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