• English 
    • español
    • English
    • français
  • FacebookPinterestTwitter
  • español
  • English
  • français
View Item 
  •   DIGIBUG Home
  • 1.-Investigación
  • Departamentos, Grupos de Investigación e Institutos
  • Departamento de Química Inorgánica
  • DQI - Artículos
  • View Item
  •   DIGIBUG Home
  • 1.-Investigación
  • Departamentos, Grupos de Investigación e Institutos
  • Departamento de Química Inorgánica
  • DQI - Artículos
  • View Item
JavaScript is disabled for your browser. Some features of this site may not work without it.

Interactions between 2,4-bis-pteridine-1,5-benzodiazepine and group 12 dihalides: synthesis, spectral and XRD structural studies and theoretical calculations

[PDF] IllanCabeza_XRD.pdf (1.554Mb)
Identificadores
URI: http://hdl.handle.net/10481/45623
DOI: 10.1039/C6DT03583C
ISSN: 1477-9234
ISSN: 1477-9226
Exportar
RISRefworksMendeleyBibtex
Estadísticas
View Usage Statistics
Metadata
Show full item record
Author
Illán-Cabeza, Nuria A.; Jiménez-Pulido, Sonia B.; Hueso Ureña, Francisco; Peña-Ruiz, Tomás; Quirós Olozábal, Miguel; Moreno-Carretero, Miguel N.
Editorial
Royal Society of Chemistry
Materia
Benzodiazepine
 
Molecular structure
 
Crystal structure
 
Quantum theory
 
Ligand exchange chromatography
 
Luminescence
 
Metal complexes
 
X-rays
 
Diffraction
 
XRD
 
Date
2016
Referencia bibliográfica
Illán-Cabeza, N.A.; et al. Interactions between 2,4-bis-pteridine-1,5-benzodiazepine and group 12 dihalides: synthesis, spectral and XRD structural studies and theoretical calculations. Dalton Transactions, 45: 17896-17909 (2016). [http://hdl.handle.net/10481/45623]
Sponsorship
Supported by the University of Jaén (Plan de Apoyo a la Investigación, al Desarrollo Tecnológico y a la Innovación), Junta de Andalucía (PAIDI groups FQM195, FQM273 and FQM337) and the State Secretariat for Research, Development and Innovation of Spanish Ministry of Economy and Competitivity (Project “Red de Excelencia MetalBio”, CTQ2015-71211-REDT).
Abstract
2,4-Bis(1,3,7-trimethyl-pteridine-2,4(1H,3H)-dione-6-yl)-2,3-dihydro-2-methyl-1H-1,5-benzodiazepine (DLMBZD) has been prepared and its molecular and crystal structures have been determined from spectral and XRD data. The benzodiazepine ligand was reacted with zinc(II), cadmium(II) and mercury(II) chloride, bromide and iodide to give complexes with general formula [M(DLMBZD)X2]. The complexes have been synthesized and characterized by IR, NMR and elemental analysis. The structure of seven complexes has been obtained by single crystal X-ray diffraction. In all the cases, the metal is (2 + 2 + 1)-five-coordinated by two halide ligands, two nitrogen atoms from pyrazine and diazepine rings and a carbonyl oxygen from a pteridine ring. The coordinated-metal environment is a square-based pyramid, with increasing trigonality from Hg(II) to Zn(II) complexes. To coordinate the metals, the ligand folds itself, establishing four intramolecular σ–π interactions with the pyrimidine and pyrazine rings. A topological analysis of the electron density using the Quantum Theory of Atoms in Molecules and the complexes stability has been performed.
Collections
  • DQI - Artículos

My Account

LoginRegister

Browse

All of DIGIBUGCommunities and CollectionsBy Issue DateAuthorsTitlesSubjectFinanciaciónAuthor profilesThis CollectionBy Issue DateAuthorsTitlesSubjectFinanciación

Statistics

View Usage Statistics

Servicios

Pasos para autoarchivoAyudaLicencias Creative CommonsSHERPA/RoMEODulcinea Biblioteca UniversitariaNos puedes encontrar a través deCondiciones legales

Contact Us | Send Feedback