Macchi, P;Casati, N;Evans, SR;Gozzo, F;Simoncic, P;Tiana, D

2014

January

Chemical Communications

An "Off-axis" Mn-Mn bond in Mn-2(CO)(10) at high pressure

Validated

Altmetric: 1 ()

EXPERIMENTAL ELECTRON-DENSITY EXPERIMENTAL CHARGE-DENSITY X-RAY-DIFFRACTION CRYSTAL-STRUCTURE METAL-CARBONYL VIBRATIONAL SPECTROSCOPY DIMANGANESE DECACARBONYL RAMAN DECOMPOSITION MN2(CO)10

50

12824

12827

At variance with what was previously reported, Mn-2(CO)(10) does not transform its conformation from staggered to eclipsed in the high pressure crystal form. X-ray powder diffraction, DFT calculations and Raman spectroscopy show that the staggered conformation is retained. Instead, a rotation and a translation of the Mn(CO)(5) pyramidal units produce an "off-axis" and rather shorter Mn-Mn bond.

CAMBRIDGE

1359-7345

10.1039/c4cc04152f