Computation of the first hyperpolarizability, β, for hydrogen-bonded salts and acid–base pairs

✍ Scribed by N. Blagden; K.R. Seddon

• Book ID: 104432237
• Publisher: Elsevier Science
• Year: 1999
• Tongue: English
• Weight: 101 KB
• Volume: 2
• Category: Article
• ISSN: 1463-0184
• DOI: 10.1016/s1463-0184(99)00003-9

✦ Synopsis

A procedure for estimating the intermolecular contribution to both the first hyperpolarizability, ␤, and the dipole moment, U, of simple hydrogen-bonded acid-base pairs or salts is given. Experimental values are available for the dipole moment contribution as a result of hydrogen-bond formation, and are comparable with those calculated by the procedure described herein. ␤ values are not measurable for such complexes and salts. This type of analysis gives an interesting insight into the effect intermolecular hydrogen bonding has on the electronic polarization properties of molecular systems, and the consequences for engineering a second order nonlinear optical response from a hydrogen bond assembly.