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Infrared and Raman Measurements of Halogen Bonding in Cryogenic Solutions

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Halogen Bonding I

Part of the book series: Topics in Current Chemistry ((TOPCURRCHEM,volume 358))

Abstract

Because they create a weakly interacting environment which, combined with the low temperatures used, leads to small bandwidths and thus facilitates the detection of complex bands only slightly shifted from the monomer modes, solutions in liquefied inert gases have proven to be an ideal medium to study molecular complexes held together by weak and medium-strong C−X…Y (with X=I, Br, Cl and Y=O, N, S, F, Cl, π,…) halogen bonds. In this chapter, experimental setups for infrared and Raman study of cryosolutions are described, and general methodologies used to examine weakly bound molecular complexes are discussed. The methods are illustrated using data obtained for a variety of halogen-bonded complexes involving, amongst others, the trifluorohalomethanes CF3Cl, CF3Br, and CF3I, and a variety of Lewis bases. The results are compared with theoretical data obtained from ab initio calculations, and with experimental and theoretical data obtained for complexes involving weak C–H proton donors such as CHF3. Preliminary data for mixed proton donor/halogen donors such as CHClF2, CHBrF2 are also discussed.

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Abbreviations

DME:

Dimethyl ether

DMS:

Dimethyl sulfide

IR:

Infrared

LAr:

Liquid argon

LKr:

Liquid krypton

LNe:

Liquid neon

LN2 :

Liquid nitrogen

LXe:

Liquid xenon

TMA:

Trimethylamine

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Acknowledgments

It is a pleasure to acknowledge the contributions of my co-workers, whose names are evident from the references cited below. Without their excellent work, this review could not have been written. The research presented was carried out with financial support from the Fund for Scientific Research (FWO-Vlaanderen) and from the Flemish Community, through the Special Research Fund (BOF). The Hercules Foundation and the Flemish Supercomputing Centre (www.vscentrum.be) is acknowledged for generously providing the computing resources required.

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  1. Department of Chemistry, University of Antwerp, Groenenborgerlaan 171, 2020, Antwerp, Belgium

    Wouter Herrebout

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  1. Wouter Herrebout
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Correspondence to Wouter Herrebout .

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  1. Dipartimento di Chimica, Polytechnic University of Milan, Milano, Italy

    Pierangelo Metrangolo

  2. Dipartimento di Chimica, Polytechnic University of Milan, Milano, Italy

    Giuseppe Resnati

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Herrebout, W. (2014). Infrared and Raman Measurements of Halogen Bonding in Cryogenic Solutions. In: Metrangolo, P., Resnati, G. (eds) Halogen Bonding I. Topics in Current Chemistry, vol 358. Springer, Cham. https://doi.org/10.1007/128_2014_559

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