Literature DB >> 28229512

A Phosphorus Bisylide: Exploring a New Class of Superbases with Two Interacting Carbon Atoms as Basicity Centers.

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.
© 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

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


  1 in total

1.  Design of non-ionic carbon superbases: second generation carbodiphosphoranes.

Authors:  Sebastian Ullrich; Borislav Kovačević; Björn Koch; Klaus Harms; Jörg Sundermeyer
Journal:  Chem Sci       Date:  2019-08-16       Impact factor: 9.825

  1 in total

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