| Literature DB >> 28229512 |
Julius F Kögel1,2, Davor Margetić3, Xiulan Xie1, Lars H Finger1, Jörg Sundermeyer1.
Abstract
Herein we present the first superbase MHPN with two interacting P-ylide entities. Unlike classical proton sponges, this novel compound class has carbon atoms as basicity centers which are forced into close proximity by a naphthalene scaffold. The bisylide exhibits an experimental pKBH+ value of 33.3±0.2 on the MeCN scale and a calculated gas-phase proton affinity of 277.9 kcal mol-1 (M062X/6-311+G**//M062X/6-31G*+ZPVE method) exceeding that of the corresponding monoylide by nearly 15 kcal mol-1 . The origin of the unexpectedly high basicity of the new bisylide was investigated by NMR spectroscopic methods, single-crystal X-ray diffraction as well as theoretical calculations and can be partly attributed to the rapid exchange of the "acidic" proton between the two basic carbon atoms after protonation.Entities:
Keywords: basicity; exchange interactions; phosphorus; superbases; ylides
Year: 2017 PMID: 28229512 DOI: 10.1002/anie.201612446
Source DB: PubMed Journal: Angew Chem Int Ed Engl ISSN: 1433-7851 Impact factor: 15.336