Structure and thermal behaviour of (SPY-5-12)-(2-aminoethanol-N)(2-aminoethanol-N,O)-bis(theophyllinato)copper(II) dihydrate

A model for DNA-metal interactions

P. Bombicz, J. Madarász, Edit Forizs, Isabella Foch

Research output: Contribution to journalArticle

27 Citations (Scopus)

Abstract

The title compound (1) is obtained by mixing aqueous 2-aminoethanol solutions of theophylline and copper(II) salt. According to the single crystal data the Cu2+ ion is pentacoordinated and located in a slightly distorted square pyramidal configuration. Four short Cu - N bonds to two N(7) of the theophyllinate anions and to two nitrogen atoms of a monodentate and a bidentate 2-aminoethanol ligands are almost in the plane, while a longer Cu - O bond to oxygen of the bidentate 2-aminoethanol is in the apex at distance 2.350(8) Å. When heated in air or in an inert atmosphere, 1 undergoes a five-step decomposition process studied by TG, DSC and evolved gas detection (EGD). The solid intermediates of the thermal decomposition were detected by FTIR and powder X-ray diffraction. First the water molecules then the mono- and bidentate 2-aminoethanol ligands are released in the order of their binding energy, showing a strong structure-stability correlation. Afterwards chemical degradation of theophyllinato ligands occurs and is accompanied in air by an intense oxidation process resulting in CuO formation.

Original languageEnglish
Pages (from-to)3601-3607
Number of pages7
JournalPolyhedron
Volume16
Issue number20
Publication statusPublished - 1997

Fingerprint

Ethanolamine
Copper
DNA
deoxyribonucleic acid
Hot Temperature
Metals
Ligands
copper
ligands
metals
inert atmosphere
air
Air
interactions
Binding energy
X ray powder diffraction
nitrogen atoms
thermal decomposition
apexes
Pyrolysis

Keywords

  • Ethanolamine
  • Mixed-ligand Cu complex
  • Single crystal structure
  • Structure-stability correlation
  • Theophylline
  • Thermal decomposition

ASJC Scopus subject areas

  • Biochemistry
  • Inorganic Chemistry
  • Physical and Theoretical Chemistry
  • Materials Chemistry

Cite this

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title = "Structure and thermal behaviour of (SPY-5-12)-(2-aminoethanol-N)(2-aminoethanol-N,O)-bis(theophyllinato)copper(II) dihydrate: A model for DNA-metal interactions",
abstract = "The title compound (1) is obtained by mixing aqueous 2-aminoethanol solutions of theophylline and copper(II) salt. According to the single crystal data the Cu2+ ion is pentacoordinated and located in a slightly distorted square pyramidal configuration. Four short Cu - N bonds to two N(7) of the theophyllinate anions and to two nitrogen atoms of a monodentate and a bidentate 2-aminoethanol ligands are almost in the plane, while a longer Cu - O bond to oxygen of the bidentate 2-aminoethanol is in the apex at distance 2.350(8) {\AA}. When heated in air or in an inert atmosphere, 1 undergoes a five-step decomposition process studied by TG, DSC and evolved gas detection (EGD). The solid intermediates of the thermal decomposition were detected by FTIR and powder X-ray diffraction. First the water molecules then the mono- and bidentate 2-aminoethanol ligands are released in the order of their binding energy, showing a strong structure-stability correlation. Afterwards chemical degradation of theophyllinato ligands occurs and is accompanied in air by an intense oxidation process resulting in CuO formation.",
keywords = "Ethanolamine, Mixed-ligand Cu complex, Single crystal structure, Structure-stability correlation, Theophylline, Thermal decomposition",
author = "P. Bombicz and J. Madar{\'a}sz and Edit Forizs and Isabella Foch",
year = "1997",
language = "English",
volume = "16",
pages = "3601--3607",
journal = "Polyhedron",
issn = "0277-5387",
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TY - JOUR

T1 - Structure and thermal behaviour of (SPY-5-12)-(2-aminoethanol-N)(2-aminoethanol-N,O)-bis(theophyllinato)copper(II) dihydrate

T2 - A model for DNA-metal interactions

AU - Bombicz, P.

AU - Madarász, J.

AU - Forizs, Edit

AU - Foch, Isabella

PY - 1997

Y1 - 1997

N2 - The title compound (1) is obtained by mixing aqueous 2-aminoethanol solutions of theophylline and copper(II) salt. According to the single crystal data the Cu2+ ion is pentacoordinated and located in a slightly distorted square pyramidal configuration. Four short Cu - N bonds to two N(7) of the theophyllinate anions and to two nitrogen atoms of a monodentate and a bidentate 2-aminoethanol ligands are almost in the plane, while a longer Cu - O bond to oxygen of the bidentate 2-aminoethanol is in the apex at distance 2.350(8) Å. When heated in air or in an inert atmosphere, 1 undergoes a five-step decomposition process studied by TG, DSC and evolved gas detection (EGD). The solid intermediates of the thermal decomposition were detected by FTIR and powder X-ray diffraction. First the water molecules then the mono- and bidentate 2-aminoethanol ligands are released in the order of their binding energy, showing a strong structure-stability correlation. Afterwards chemical degradation of theophyllinato ligands occurs and is accompanied in air by an intense oxidation process resulting in CuO formation.

AB - The title compound (1) is obtained by mixing aqueous 2-aminoethanol solutions of theophylline and copper(II) salt. According to the single crystal data the Cu2+ ion is pentacoordinated and located in a slightly distorted square pyramidal configuration. Four short Cu - N bonds to two N(7) of the theophyllinate anions and to two nitrogen atoms of a monodentate and a bidentate 2-aminoethanol ligands are almost in the plane, while a longer Cu - O bond to oxygen of the bidentate 2-aminoethanol is in the apex at distance 2.350(8) Å. When heated in air or in an inert atmosphere, 1 undergoes a five-step decomposition process studied by TG, DSC and evolved gas detection (EGD). The solid intermediates of the thermal decomposition were detected by FTIR and powder X-ray diffraction. First the water molecules then the mono- and bidentate 2-aminoethanol ligands are released in the order of their binding energy, showing a strong structure-stability correlation. Afterwards chemical degradation of theophyllinato ligands occurs and is accompanied in air by an intense oxidation process resulting in CuO formation.

KW - Ethanolamine

KW - Mixed-ligand Cu complex

KW - Single crystal structure

KW - Structure-stability correlation

KW - Theophylline

KW - Thermal decomposition

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