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Hyperpolarizabilities of strongly hydrogen-bonded molecular complexes: PM3 and ab initio studies

✍ Scribed by Zdzisław Latajka; Grzegorz Gajewski; Austin J. Barnes; Henryk Ratajczak

Publisher
Elsevier Science
Year
2007
Tongue
English
Weight
110 KB
Volume
844-845
Category
Article
ISSN
0022-2860

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Two newly synthesized alkylated cyanomalonaldehyde derivatives possess very short intramolecular hydrogen bonds, which are studied by deuterium NMR. Both the dimethyl and di-tert-butyl derivatives have small deuterium quadrupole coupling constants and large asymmetry parameters. In addition, the di-