Electronic absorption spectrum of monoaminosubstituted tetraphenylporphyrin with diethylenetriaminepenetaacetic acid for the substitute

R. R. Valiev, V. N. Cherepanov, R. T. Kuznetsova, E. G. Ermolina

Research output: Contribution to journalArticle

4 Citations (Scopus)

Abstract

The equilibrium geometry of the ground electronic state of amine derivative of the tetraphenylporphyrin molecule comprising diethylenetriaminepentaacetic acid for the substitute is obtained by the functional density method using the B3LYP functional in the 6-31G (d, p) basis. The electronic absorption spectrum of the molecule in ethanol solution is measured in the wavelength range 400-650 nm and interpreted by the PCM/TDDFT method (with B3LYP and CAMB3LYP functionals) in the 6-31G (d, p) basis.

Original languageEnglish
Pages (from-to)378-382
Number of pages5
JournalRussian Physics Journal
Volume55
Issue number4
DOIs
Publication statusPublished - Sep 2012

Fingerprint

electronic spectra
substitutes
absorption spectra
acids
functionals
molecules
amines
ethyl alcohol
geometry
electronics
wavelengths

Keywords

  • charge transfer transitions
  • density functional theory
  • tetraphenylporphyrun

ASJC Scopus subject areas

  • Physics and Astronomy(all)

Cite this

Electronic absorption spectrum of monoaminosubstituted tetraphenylporphyrin with diethylenetriaminepenetaacetic acid for the substitute. / Valiev, R. R.; Cherepanov, V. N.; Kuznetsova, R. T.; Ermolina, E. G.

In: Russian Physics Journal, Vol. 55, No. 4, 09.2012, p. 378-382.

Research output: Contribution to journalArticle

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