Exact determination of hydrogen positions in tris(3,5-di-tert-butyl phenyl)methane could reveal the shortest intermolecular CH...HC contact
Very short non-bonded CH...HC contacts thus far have only been found within cyclic molecules. The claimed record holder has an R(H...H) of 1.58 Å estimated from computations on an X-ray diffraction (XRD) structure. In the XRD structure of tris(3,5-di-tert-butylphenyl)methane a very short intramolecular CH...HC contact of 1.85 Å was found, which gives an estimated real R(H...H) of 1.55 Å, potentially a new record, if this distance can be confirmed by accurate determination of the hydrogen position through neutron diffraction. This would also underscore the very strong London dispersion forces within this arrangement and supports our research to quantify dispersion interactions in molecular structures.
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ROESEL Soeren; Cañadillas-Delgado, L.; LOGEMANN Christian; MASON, Sax A.; MOSSOU Estelle and Peter R. Schreiner. (2016). Exact determination of hydrogen positions in tris(3,5-di-tert-butyl phenyl)methane could reveal the shortest intermolecular CH...HC contact. Institut Laue-Langevin (ILL) doi:10.5291/ILL-DATA.5-12-321
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