Spectroscopy of diazines soluted in aqueous and protic solvents

F. Billes, A. Toth, M. Gál

Research output: Contribution to journalArticle

Abstract

The electronic and vibrational spectra of some diazines were investigated in a wide acidity region from strong alkaline solution to strong acidic one. Electronic spectra were applied to the determination of the acidic ionization constants. Besides, ionization constants were calculated quantumchemically, too. Measured and calculated ones are correlated. A theory was developed for the application of ionization constants to multicomponent analysis of ampholytes. Vibrational spectra were measured at pH (Ho) values where the ion in question is the bulk. A special IR cell was elaborated for these measurements. Force constants and fundamental frequencies were calculated at CNDO level by the extension of the force method to soluted molecules (FORSOL programme). Geometric parameters of some ions were optimized by ab initio calculations.

Original languageEnglish
Pages (from-to)43-46
Number of pages4
JournalActa Physica Hungarica
Volume61
Issue number1
DOIs
Publication statusPublished - Feb 1987

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ionization
electronic spectra
vibrational spectra
spectroscopy
acidity
ions
cells
molecules

ASJC Scopus subject areas

  • Physics and Astronomy(all)

Cite this

Spectroscopy of diazines soluted in aqueous and protic solvents. / Billes, F.; Toth, A.; Gál, M.

In: Acta Physica Hungarica, Vol. 61, No. 1, 02.1987, p. 43-46.

Research output: Contribution to journalArticle

Billes, F. ; Toth, A. ; Gál, M. / Spectroscopy of diazines soluted in aqueous and protic solvents. In: Acta Physica Hungarica. 1987 ; Vol. 61, No. 1. pp. 43-46.
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