Abstract
The structure of tricarbonyl(4-methoxybenzaldehyde)chromium(0) was studied by X-ray crystallography. The crystals are orthorhombic, space group P212121, a = 8.040(1) A, b = 10.510(7) A, c = 13.279(4) A, V = 1122.1(8) A3, Z = 4. Quantum-chemical calculations predict that this compound can exist in the gas phase as two stable conformers with almost the same energies. Their mutual transformations are examined using the density functional theory.
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