Structural Characteristics of Intramolecular Hydrogen Bonding in Benzene Derivatives
作者： Attila Kovács , Andrea Szabó , István Hargittai
DOI: 10.1021/AR020003B
关键词: Gas electron diffraction 、 Benzene 、 Proton acceptor 、 Benzene derivatives 、 Ring (chemistry) 、 Intramolecular force 、 Photochemistry 、 Quantum chemical 、 Hydrogen bond 、 Chemistry 、 Crystallography
摘要: In this Account, the intramolecular hydrogen bonding (HB) properties of various proton acceptor groups (BXn: CN, NO2, CO, PO, F, CF3) with OH and NH2 (AH) in benzene derivatives are assessed on basis gas electron diffraction, spectroscopic, quantum chemical results. The most important HB energy, characteristic geometrical changes interacting (lengthening A−H B−X, shortening C−A C−B bonds) ring, vibrational AH groups. These particular interaction (in BXn pair single multiple hydrogen-bonded systems); however, they cannot be related directly to computed energies.
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