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Insights into the Intramolecular Properties of η6-Arene-Ru-Based Anticancer Complexes Using Quantum Calculations
Joint Authors
Ajibade, Peter A.
Adeniyi, Adebayo A.
Source
Issue
Vol. 2013, Issue 2013 (31 Dec. 2013), pp.1-14, 14 p.
Publisher
Hindawi Publishing Corporation
Publication Date
2013-11-04
Country of Publication
Egypt
No. of Pages
14
Main Subjects
Abstract EN
The factors that determine the stability and the effects of noncovalent interaction on the η6-arene ruthenium anticancer complexes are determined using DFT method.
The intramolecular and intra-atomic properties were computed for two models of these half-sandwich ruthenium anticancer complexes and their respective hydrated forms.
The results showed that the stability of these complexes depends largely on the network of hydrogen bonds (HB), strong nature of charge transfer, polarizability, and electrostatic energies that exist within the complexes.
The hydrogen bonds strength was found to be related to the reported anticancer activities and the activation of the complexes by hydration.
The metal–ligand bonds were found to be closed shell systems that are characterised by high positive Laplacian values of electron density.
Two of the complexes are found to be predominantly characterised by LMCT while the other two are predominately characterised by MLCT.
American Psychological Association (APA)
Adeniyi, Adebayo A.& Ajibade, Peter A.. 2013. Insights into the Intramolecular Properties of η6-Arene-Ru-Based Anticancer Complexes Using Quantum Calculations. Journal of Chemistry،Vol. 2013, no. 2013, pp.1-14.
https://search.emarefa.net/detail/BIM-505898
Modern Language Association (MLA)
Adeniyi, Adebayo A.& Ajibade, Peter A.. Insights into the Intramolecular Properties of η6-Arene-Ru-Based Anticancer Complexes Using Quantum Calculations. Journal of Chemistry No. 2013 (2013), pp.1-14.
https://search.emarefa.net/detail/BIM-505898
American Medical Association (AMA)
Adeniyi, Adebayo A.& Ajibade, Peter A.. Insights into the Intramolecular Properties of η6-Arene-Ru-Based Anticancer Complexes Using Quantum Calculations. Journal of Chemistry. 2013. Vol. 2013, no. 2013, pp.1-14.
https://search.emarefa.net/detail/BIM-505898
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references
Record ID
BIM-505898