Synthesis and characterization of molecular complexes of cimetidine with water soluble 1,4-benzoquinones

Autor:	El-sayed H El-Mossalamy, A. Satheshkumar, K. Ganesh, Kuppanagounder P. Elango, C. Balraj
Rok vydání:	2013
Předmět:	Steric effects Stereochemistry Chemistry Organic Chemistry Substituent Medicinal chemistry Analytical Chemistry Inorganic Chemistry chemistry.chemical_compound Stability constants of complexes Alkoxy group Proton NMR Polar Density functional theory Spectroscopy Stoichiometry
Zdroj:	Journal of Molecular Structure. 1050:166-173
ISSN:	0022-2860
DOI:	10.1016/j.molstruc.2013.07.025
Popis:	The molecular complexes of novel water soluble 1,4-benzoquinones possessing different alkoxy substituents, with cimetidine drug have been investigated using various spectral techniques such as UV–Vis, 1H NMR, FT-IR. The stoichiometry of the CT complexes was found to be 1:1, in all the cases. The Density Functional Theory calculations supported the experimental observations. Correlation of formation constants (K) of the CT complexes with Taft’s polar (σ⁎) and steric (Es) constants indicated that an increase in electron releasing property of the alkoxy group makes these acceptors increasingly weaker while an increase in steric property of the substituent decreased the formation constant.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::ec884b8fc8a0a5c8ca3ef8879f392be3 https://doi.org/10.1016/j.molstruc.2013.07.025 Zobrazit plný text záznamu Full Text from ScienceDirect