Structure of Diferrocenyl Thioketone: From Molecule to Crystal.

ABSTRACT: Ferrocenyl-functionalized thioketones have recently been recognized as useful building blocks for sulfur-containing compounds with potential applications in materials chemistry. This work is devoted to a single representative of such thioketones, namely diferrocenyl thioketone (Fc₂CS), whose structure has been determined here for the first time. Both X-ray crystallography and a wide variety of quantum-chemical methods were used to explore the structure of Fc₂CS. In addition to the X-ray structure determination, intermolecular interactions occurring in the crystal structure of Fc₂CS were examined in detail by quantum-chemical methods. These methods were also an invaluable tool in studying the molecular structure of Fc₂CS, from the gas phase to sol

SUBMITTER: Matczak P 

PROVIDER: S-EPMC6864675 | biostudies-literature | 2019 Oct

REPOSITORIES: biostudies-literature