• Medientyp: E-Artikel
  • Titel: On the Cl⋅⋅⋅N Halogen Bond: A Rotational Study of CF3Cl⋅⋅⋅NH3
  • Beteiligte: Feng, Gang; Evangelisti, Luca; Gasparini, Nicola; Caminati, Walther
  • Erschienen: Wiley, 2012
  • Erschienen in: Chemistry – A European Journal, 18 (2012) 5, Seite 1364-1368
  • Sprache: Englisch
  • DOI: 10.1002/chem.201101582
  • ISSN: 0947-6539; 1521-3765
  • Schlagwörter: General Chemistry ; Catalysis ; Organic Chemistry
  • Entstehung:
  • Anmerkungen:
  • Beschreibung: <jats:title>Abstract</jats:title><jats:p>The rotational spectra of six isotopologues (CF<jats:sub>3</jats:sub><jats:sup>35</jats:sup>Cl⋅⋅⋅<jats:sup>14</jats:sup>NH<jats:sub>3</jats:sub>, CF<jats:sub>3</jats:sub><jats:sup>37</jats:sup>Cl⋅⋅⋅<jats:sup>14</jats:sup>NH<jats:sub>3</jats:sub>, CF<jats:sub>3</jats:sub><jats:sup>35</jats:sup>Cl⋅⋅⋅<jats:sup>15</jats:sup>NH<jats:sub>3</jats:sub>, CF<jats:sub>3</jats:sub><jats:sup>37</jats:sup>Cl⋅⋅⋅<jats:sup>15</jats:sup>NH<jats:sub>3</jats:sub>, CF<jats:sub>3</jats:sub><jats:sup>35</jats:sup>Cl⋅⋅⋅<jats:sup>14</jats:sup>ND<jats:sub>3</jats:sub> and CF<jats:sub>3</jats:sub><jats:sup>37</jats:sup>Cl⋅⋅⋅<jats:sup>14</jats:sup>ND<jats:sub>3</jats:sub>) of the CF<jats:sub>3</jats:sub>Cl⋅⋅⋅NH<jats:sub>3</jats:sub> adduct have been investigated and analyzed by pulsed jet Fourier transform microwave spectroscopy. Rotational, centrifugal distortion and quadrupole (<jats:sup>35</jats:sup>Cl, <jats:sup>37</jats:sup>Cl, <jats:sup>14</jats:sup>N) coupling constants have been precisely obtained. The two subunits of the complex are held together via a Cl⋅⋅⋅N halogen bond interaction. Information on the internal dynamics and on the dissociation energy of the complex is provided.</jats:p>