Cornering the 13th vertex: The first 13-vertex carborane (see picture, B: brown, C: gray, H: white) has been prepared by a methodology that can in principle be applied repeatedly, leading to 14-, 15-, 16-, ... vertex carboranes in the future. The 13-vertex species has a henicosahedral geometry, not the docosahedral one expected, but the two forms are found to be very close in energy by DFT calculations.
- Density functional calculations
- Structure elucidation
- Synthetic methods