Literature DB >> 27049637

On the ClC halogen bond: a rotational study of CF3Cl-CO.

Walther Caminati1, Luca Evangelisti, Gang Feng, Barbara M Giuliano, Qian Gou, Sonia Melandri, Jens-Uwe Grabow.   

Abstract

The rotational spectra of two isotopologues (CF3(35)Cl-CO and CF3(37)Cl-CO) of the CF3Cl-CO adduct have been investigated and analyzed using supersonic-jet Fourier transform microwave spectroscopy, and found to have the features of a symmetric top. Rotational, centrifugal distortion, and nuclear quadrupole ((35)Cl and (37)Cl) coupling constants have been precisely obtained from high-resolution measurements. The two subunits of the complex are held together via a ClC halogen bond interaction. Information on the internal dynamics and the dissociation energy of the complex is provided.

Entities:  

Year:  2016        PMID: 27049637     DOI: 10.1039/c6cp01059h

Source DB:  PubMed          Journal:  Phys Chem Chem Phys        ISSN: 1463-9076            Impact factor:   3.676


  4 in total

1.  The interaction of CCl4 with Ng (Ng = He, Ne, Ar), O2, D2O and ND3: rovibrational energies, spectroscopic constants and theoretical calculations.

Authors:  Rhuiago M de Oliveira; Luiz F Roncaratti; Luiz Guilherme M de Macedo; Ricardo Gargano
Journal:  J Mol Model       Date:  2017-02-21       Impact factor: 1.810

2.  Rotational Spectrum and Conformational Analysis of N-Methyl-2-Aminoethanol: Insights into the Shape of Adrenergic Neurotransmitters.

Authors:  Camilla Calabrese; Assimo Maris; Luca Evangelisti; Anna Piras; Valentina Parravicini; Sonia Melandri
Journal:  Front Chem       Date:  2018-02-22       Impact factor: 5.221

3.  Characterizing the Interactions of Dimethyl Sulfoxide with Water: A Rotational Spectroscopy Study.

Authors:  Dingding Lv; Luca Evangelisti; Assimo Maris; Wentao Song; Giovanna Salvitti; Sonia Melandri
Journal:  J Phys Chem A       Date:  2022-09-23       Impact factor: 2.944

4.  Halogen Bonds Formed between Substituted Imidazoliums and N Bases of Varying N-Hybridization.

Authors:  Steve Scheiner
Journal:  Molecules       Date:  2017-09-29       Impact factor: 4.411

  4 in total

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