Encontrado 1 documento, a visualizar página 1 de 1

Photoisomerization and Photochemistry of Matrix-Isolated 3-Furaldehyde

3-Furaldehyde (3FA) was isolated in an argon matrix at 12 K and studied using FTIR spectroscopy and quantum chemistry. The molecule has two conformers, with trans and cis orientation of the O═C—C═C dihedral angle. At the B3LYP/6-311++G(d,p) level of theory, the trans form was computed to be ca. 4 kJ mol−1 more stable than the cis form. The relative stability of the two conformers was explained using the natural...