%0 Journal Article %J Chemistry A European Journal %D 2019 %T Icosahedral Carbaboranes with Peripheral Hydrogen– Chalcogenide Groups: Structures from Gas Electron Diffraction and Chemical Shielding in Solution %A Tomas Base %A Josef Holub %A Jindrich Fanfrlik %A Drahomir Hnyk %A Paul L Lane %A Derek A Wann %A Yury V Vishnevskiy %A Denis Tikhonov %A Christian G Reuter %A Norbert W Mitzel %K carborane-diselenol %K carborane-dithiol %K gass phase electron diffraction %K GPE %K sturcture %X

Hydrochalcogeno carbaboranes: Icosahedral carbaboranes with thiol and selenol groups were prepared and their structures determined by gas electron diffraction augmented by ab initio calculated data (see figure). A method for quantifying the experimental contribution to the structural parameters was developed and tested. Comparison of NMR chemical shifts in solution with quantum‐chemically calculated values allowed further structural information to be retrieved.

%B Chemistry A European Journal %V 25 %P 2313-2321 %8 February 11, 201 %G eng %U https://onlinelibrary.wiley.com/doi/10.1002/chem.201805145 %N 9 %9 Full paper %& 2313 %R DOI : 10.1002/chem.201805145