Features of the CH⋅⋅⋅N Weak Hydrogen Bond and Internal Dynamics in Pyridine–CHF 3 | Zendy

Favero Laura B. | Zendy; Giuliano Barbara M. | Zendy; Maris Assimo | Zendy; Melandri Sonia | Zendy; Ottaviani Paolo | Zendy; Velino Biagio | Zendy; Caminati Walther | Zendy

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Features of the CH⋅⋅⋅N Weak Hydrogen Bond and Internal Dynamics in Pyridine–CHF 3

Author(s) -

Favero Laura B.,

Giuliano Barbara M.,

Maris Assimo,

Melandri Sonia,

Ottaviani Paolo,

Velino Biagio,

Caminati Walther

Publication year - 2010

Publication title -

chemistry – a european journal

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 1.687

H-Index - 242

eISSN - 1521-3765

pISSN - 0947-6539

DOI - 10.1002/chem.200902852

Subject(s) - pyridine , adduct , hydrogen bond , moiety , chemistry , benzene , ring (chemistry) , hydrogen , linkage (software) , dynamics (music) , internal rotation , molecular dynamics , crystallography , stereochemistry , computational chemistry , medicinal chemistry , molecule , physics , organic chemistry , mechanical engineering , biochemistry , acoustics , engineering , gene

All change : The dynamics, location, and hydrogen‐bond features of CHF 3 change drastically on going from the benzene–CHF 3 to the pyridine–CHF 3 molecular adduct. The barrier to internal rotation increases from almost nothing to ≈0.6 kJ mol −1 ; the CHF 3 moiety moves into the ring plane from above, and a CH⋅⋅⋅N linkage replaces the CH⋅⋅⋅π contact (see figure).

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