Electronic structure and biological activity: Barbiturates vs. Thiobarbiturates

Igor Novak, Branka Kovac

Research output: Contribution to journalArticlepeer-review

7 Citations (Scopus)
19 Downloads (Pure)


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.
Original languageEnglish
Pages (from-to)242-244
Number of pages3
JournalChemical Physics Letters
Issue number4-6
Publication statusPublished - 2010

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