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- W4220930177 abstract "High pressure favors anagostic bonds CH···Ru, which leads to a new polymorph of ruthenocene RuCp2, where Cp denotes the cyclopentadienyl ring [C5H5]−. Ruthenocene can be isothermally compressed in its ambient-pressure phase α up to 3.9 GPa, when it transforms to the new phase, β. The transition between phases α and β proceeds with an exceptionally wide hysteresis extending between 0.7 and 3.9 GPa. The transition destroys single crystals of RuCp2, but a single crystal of polymorph β can be obtained by high-pressure nucleation (above 3.9 GPa) and its isochoric growth continued above 1.0 GPa. On decompression, phase β transforms back to phase α at 0.7 GPa. The structures of phases α (space group Pnma) and β (space group Pcmb) have been determined by X-ray diffraction in the pressure range from 0.1 MPa up to 3.9 GPa. The eclipsed conformation of α-RuCp2 is retained in phase β, which contrasts with the conformational phase transitions in ferrocene and nickelocene. The lattice dimensions and molecular orientations in ruthenocene polymorphs are clearly related, which leads to the characteristic twinning-like oriented growth of the crystals of concomitant phases." @default.
- W4220930177 created "2022-04-03" @default.
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- W4220930177 date "2022-03-07" @default.
- W4220930177 modified "2023-09-29" @default.
- W4220930177 title "Competition between Hydrogen and Anagostic Bonds in Ruthenocene Phases under High Pressure" @default.
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- W4220930177 doi "https://doi.org/10.1021/acs.jpcc.1c10249" @default.
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