@article {153, title = {Icosahedral Carbaboranes with Peripheral Hydrogen{\textendash} Chalcogenide Groups: Structures from Gas Electron Diffraction and Chemical Shielding in Solution}, journal = {Chemistry A European Journal}, volume = {25}, year = {2019}, month = {February 11, 201}, pages = {2313-2321}, type = {Full paper}, chapter = {2313}, abstract = {

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.

}, keywords = {carborane-diselenol, carborane-dithiol, gass phase electron diffraction, GPE, sturcture}, doi = {DOI : 10.1002/chem.201805145}, url = {https://onlinelibrary.wiley.com/doi/10.1002/chem.201805145}, author = {Tomas Base and Josef Holub and Jindrich Fanfrlik and Drahomir Hnyk and Paul L Lane and Derek A Wann and Yury V Vishnevskiy and Denis Tikhonov and Christian G Reuter and Norbert W Mitzel} }