Electronic structure and biological activity: Barbiturates vs. thiobarbiturates (CROSBI ID 166067)
Prilog u časopisu | izvorni znanstveni rad | međunarodna recenzija
Podaci o odgovornosti
Novak, Igor ; Kovač, Branka
engleski
Electronic structure and biological activity: Barbiturates vs. thiobarbiturates
The electronic structure of the derivatives of thiobarbituric acid: 1, 3-diethyl-2-thiobarbituric acid (I) and 1, 3-dibutyl-2-thiobarbituric acid (II) has been investigated by HeI and HeII UV photoelectron spectroscopy(UPS) and quantum chemical calculations. We discuss their electronic structures and compare them with barbituric acid. We also relate the difference in electronic structure between barbituric and thiobarbituric acids to difference in biological activity of their derivatives.
photoelectron spectra ; barbiturates ; thiobarbiturates ; dft
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Podaci o izdanju
493 (4-6)
2010.
242-244
objavljeno
0009-2614
1873-4448
10.1016/j.cplett.2010.05.062