Dipole-moment modulation in new incommensurate ferrocene

0570978 - FZÚ 2024 RIV US eng J - Journal Article
Katrusiak, A. - Rusek, M. - Dušek, Michal - Petříček, Václav - Szafrański, M.
Dipole-moment modulation in new incommensurate ferrocene.
Journal of Physical Chemistry Letters. Roč. 14, č. 13 (2023), s. 3111-3119. ISSN 1948-7185
R&D Projects: GA MŠMT LM2018110
Institutional support: RVO:68378271
Keywords : conformation * molecular structure * molecules * phase transitions * sandwich compounds
OECD category: Condensed matter physics (including formerly solid state physics, supercond.)
Impact factor: 5.7, year: 2022
Method of publishing: Open access

Despite 70 years of research on metallocenes and their applications, there are still unresolved regions in its phase diagram of the prototypic sandwich compound, ferrocene Fe2+[C5H5]−2 (FeCp2), and its molecular 5-fold symmetry cannot be reconciled with the dielectric response of this crystal. We found a new phase I″ of ferrocene, which reveals the relationships between the molecular conformation, intermolecular interactions, and electric permittivity of this compound.
Permanent Link: https://hdl.handle.net/11104/0342307