Premium
Anagostic Interactions under Pressure: Attractive or Repulsive?
Author(s) -
Scherer Wolfgang,
Dunbar Andrew C.,
BarqueraLozada José E.,
Schmitz Dominik,
Eickerling Georg,
Kratzert Daniel,
Stalke Dietmar,
Lanza Arianna,
Macchi Piero,
Casati Nicola P. M.,
EbadAllah Jihaan,
Kuntscher Christine
Publication year - 2015
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.201410532
Subject(s) - agostic interaction , valence (chemistry) , chemistry , crystallography , chemical physics , atom (system on chip) , planar , diffraction , molecular physics , metal , physics , quantum mechanics , organic chemistry , computer science , embedded system , computer graphics (images)
Abstract Square‐planar d 8 ‐ML 4 complexes might display subtle but noticeable local Lewis acidic sites in axial direction in the valence shell of the metal atom. These sites of local charge depletion provide the electronic prerequisites to establish weakly attractive 3c–2e M⋅⋅⋅HC agostic interactions, in contrast to earlier assumptions. Furthermore, we show that the use of the sign of the 1 H NMR shifts as major criterion to classify M⋅⋅⋅HC interactions as attractive (agostic) or repulsive (anagostic) can be dubious. We therefore suggest a new characterization method to probe the response of these M⋅⋅⋅HC interactions under pressure by combined high pressure IR and diffraction studies.