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1. Esters of 1-coumarinylbenzylphosphonic acid-IR-spectroscopic and theoretical elucidation.

Author

Nikolova RD, Zareva S, Ilieva E, Kolev T, and Koleva B

Subjects
Models, Molecular, Molecular Structure, Spectrophotometry, Infrared methods, Coumarins chemistry, Models, Theoretical, Organophosphonates chemistry
Abstract

The IR-spectroscopic properties of three esters of 1-coumarinylbenzylphosphonic acid are elucidated both in solution and in solid-state. Linear-polarized IR-spectroscopy of oriented colloid suspensions in nematic host is used for experimental IR-characteristic band assignment in solid-state. Theoretical quantum chemical DFT calculations at B3LYP level of theory and 6-31++G** basis set are carried. Theoretical electronic structure and vibrational properties of compounds studied are discussed.

Published
2009
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