| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1233628 | Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy | 2009 | 5 Pages |
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.
Keywords
Related Topics
Physical Sciences and Engineering
Chemistry
Analytical Chemistry
Authors
Rositca D. Nikolova, Sonya Zareva, Eleonora Ilieva, Tsonko Kolev, Bojidarka Koleva,