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Communication
When Do Interacting Atoms Form a Chemical Bond? Spectroscopic Measurements and Theoretical Analyses of Dideuteriophenanthrene
Article first published online: 19 FEB 2009
DOI: 10.1002/anie.200805751
Copyright © 2009 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim
Additional Information
How to Cite
Grimme, S., Mück-Lichtenfeld, C., Erker, G., Kehr, G., Wang, H., Beckers, H. and Willner, H. (2009), When Do Interacting Atoms Form a Chemical Bond? Spectroscopic Measurements and Theoretical Analyses of Dideuteriophenanthrene. Angewandte Chemie International Edition, 48: 2592–2595. doi: 10.1002/anie.200805751
Publication History
- Issue published online: 17 MAR 2009
- Article first published online: 19 FEB 2009
- Manuscript Received: 26 NOV 2008
Keywords:
- arenes;
- atoms-in-molecules theory;
- bond theory;
- electron density;
- vibrational spectroscopy
Graphical Abstract
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.
Abstract
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.