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Strong Intermolecular Interactions Shaping a Small Piano‐Stool Complex
Author(s) -
Hey Jakob,
Andrada Diego M.,
Michel Reent,
Mata Ricardo A.,
Stalke Dietmar
Publication year - 2013
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.201304498
Subject(s) - intermolecular force , lattice (music) , computer science , quantum , atom (system on chip) , hexagonal crystal system , physics , chemical physics , crystallography , theoretical physics , molecule , chemistry , quantum mechanics , acoustics , embedded system
The smallest piano stool [CpNa(NH 3 ) 3 ] is not a stand‐alone unit in the solid state but is largely shaped by strong intermolecular NH⋅⋅⋅π interactions. Small but important structural features, such as the bending of the CH bonds inwards to the sodium atom that was confirmed by experimental charge density investigations, could only be reproduced by quantum mechanical calculations that included a lattice of more than 300 units.