| Popis: |
The molecular structure of 2-furoyl chloride has been investigated by gas-phase electron diffraction at 86°C. Two distinct conformers were identified, a more stable planar form with the furan oxygen and the carbonyl oxygen syn and a less stable planar (or nearly planar) anti form. Assuming that the two forms differ in their geometries only in the O=CCO torsion angles and assuming the furan ring to have C 2v symmetry, the results for some of the distances ( r a ) and angles (∠ a ) are: r (CH) = 1.110(20) A, r (C=O) = 1.207(6) A, r (CO) = 1.378(10) A, r (C??? = 1.465(13) A, ( r (CC)) (average carbon—carbon distance in the furan ring) = 1.392(8) A Δ r (CC) (difference between single and double carbon—carbon distances in the furan ring) = 0.069 A (assumed), r (CCl) = 1.787(6) A, ∠C=CCOCl = 131.6(9)°, ∠C=CO = 110.9(4)°, ∠C=CH = 127.7(13.4)°, ∠CC=O = 125.8(8)° and ∠CCCl = 111.8(6)°. At 359 K the observed amount of the conformer with the oxygen atoms syn was 69.8(14.2)%. |
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