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Observation of an Eclipsed C-CH3 Bond in a Tricyclic Orthoamide; Experimental and Theoretical Evidence for CH ⃛O Hydrogen Bonds

✍ Scribed by Paul Seiler; Prof. Gary R. Weisman; Eric D. Glendening; Prof. Frank Weinhold; Dr. Van B. Johnson; Prof. Dr. Jack D. Dunitz


Publisher
John Wiley and Sons
Year
1987
Tongue
English
Weight
377 KB
Volume
26
Category
Article
ISSN
0044-8249

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The presence of C-H...O hydrogen bonds in liquid 4-fluorobenzaldehyde has been studied by a combination of theoretical and spectroscopic methods. Ab initio calculations yielded bond energies and preferred bonding geometries, and the calculated spectroscopic properties have been compared with the exp