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When Do Interacting Atoms Form a Chemical Bond? Spectroscopic Measurements and Theoretical Analyses of Dideuteriophenanthrene
Author(s) -
Grimme Stefan,
MückLichtenfeld Christian,
Erker Gerhard,
Kehr Gerald,
Wang Huadong,
Beckers Helmut,
Willner Helge
Publication year - 2009
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.200805751
Subject(s) - steric effects , pauli exclusion principle , phenanthrene , deuterium , chemistry , derivative (finance) , spectral line , computational chemistry , physics , chemical physics , crystallography , stereochemistry , atomic physics , quantum mechanics , organic chemistry , financial economics , economics
Don't rewrite the textbooks! Vibrational spectra of a selectively deuterated derivative of phenanthrene indicate that the C4H⋅⋅⋅HC5 interaction in its “bay” area should be interpreted as steric (Pauli) repulsion. These findings and the results of theoretical analysis are in conflict with interpretations that describe this interaction as strongly stabilizing.