4.8 Article

Halogen-Halogen Links and Internal Dynamics in Adducts of Freons

Journal

JOURNAL OF PHYSICAL CHEMISTRY LETTERS
Volume 5, Issue 9, Pages 1591-1595

Publisher

AMER CHEMICAL SOC
DOI: 10.1021/jz500600w

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Funding

  1. Italian MIUR (PRIN) [2010ERFKXL_001]
  2. University of Bologna (RFO)
  3. MICINN for a Ramon y Cajal contract
  4. Spanish Ministry of Science and Innovation [CTQ2011-22923]
  5. Basque Government (Consolidated Groups) [IT520-10]
  6. UPV/EHU [UFI11/23]

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The pulsed jet Fourier transform microwave spectrum of the 1:1 complex between CF3Cl and CH3F shows that the two moieties are linked by a Cl center dot center dot center dot F halogen bond (R-Cl center dot center dot center dot F = 2.995 angstrom). The two symmetric tops CF3 and CH3 undergo free or almost free internal rotations, which alter the rigid value of the rotational constant A by almost 1 order of magnitude.

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