Synthesis, structure, and quantum-chemical study of tricarbonyl(4-methoxybenzaldehyde)chromium(0)статья
Информация о цитировании статьи получена из
Web of Science,
Scopus
Статья опубликована в журнале из списка Web of Science и/или Scopus
Дата последнего поиска статьи во внешних источниках: 18 июля 2013 г.
Аннотация:The structure of tricarbonyl(4-methoxybenzaldehyde)chromium(0) was studied by X-ray crystallography. The crystals are orthorhombic, space group P2(1)2(1)2(1), a = 8.040(1) , b = 10.510(7) , c = 13.279(4) , V = 1122.1(8) (3), 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.