| Content Provider |
World Health Organization (WHO)-Global Index Medicus |
| Author |
Drakulic, Branko J. Mutavdzic, Dragosav Trisovic, Nemanja P. Marinkovic, Aleksandar D. Radotic, Ksenija Markovic, Jelena M. Juranic, Ivan O. |
| Description |
Author Affiliation: Markovic JM ( Faculty of Technology and Metallurgy, University of Belgrade, Karnegijeva 4, 11000 Belgrade, Serbia.); Trisovic NP ( Faculty of Technology and Metallurgy, University of Belgrade, Karnegijeva 4, 11000 Belgrade, Serbia. Electronic address: ntrisovic@tmf.bg.ac.rs.); Mutavdzic D ( Institute for Multidisciplinary Research, University of Belgrade, Kneza Viseslava 1, 11000 Beograd, Serbia.); Radotic K ( Institute for Multidisciplinary Research, University of Belgrade, Kneza Viseslava 1, 11000 Beograd, Serbia.); Juranic IO ( Department of Chemistry, Institute of Chemistry, Technology and Metallurgy, University of Belgrade, Njegoseva 12, 11000 Belgrade, Serbia.); Drakulic BJ ( Department of Chemistry, Institute of Chemistry, Technology and Metallurgy, University of Belgrade, Njegoseva 12, 11000 Belgrade, Serbia.); Marinkovic AD ( Faculty of Technology and Metallurgy, University of Belgrade, Karnegijeva 4, 11000 Belgrade, Serbia.) |
| Abstract |
Seven symmetrical 2,6-distyrylpyridines, phenyl-substituted with hydrogen-bond donors, hydrogen-bond acceptors, halogens and hydrophobic moieties were synthesized and their spectroscopic characterization was done. Solvent effects on the absorption and fluorescence spectra were analyzed and quantified using the Kamlet-Taft and Catalán approach. The obtained results were rationalized by comparison of electrostatic potentials of the molecules in the ground and in excited state and by comparison of the frontier molecular orbitals (HOMO and LUMO), derived from quantum-mechanical calculations (HF, DFT, MP2). Analysis of the results revealed an important influence of non-specific (dispersive) interactions on the solvatochromic behavior of the compounds. 1D and 2D NMR data, in silico obtained conformational assembly of the compound, and the NMR analysis of molecular flexibility in solution (NAMFIS), were used to estimate population of conformers and to deconvolute the UV-Vis spectrum of representative derivative; inferring that the conformational assembly is more complex than was assumed in so far published literature data for this class of compounds. Along with this, the emission spectra of the representative compounds were decomposed by the Multivariate Curve Resolution analysis. |
| ISSN |
13861425 |
| Volume Number |
135 |
| e-ISSN |
18733557 |
| Journal |
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy |
| Language |
English |
| Publisher |
Elsevier |
| Publisher Date |
2015-01-25 |
| Publisher Place |
Great Britain (UK) |
| Access Restriction |
One Nation One Subscription (ONOS) |
| Subject Keyword |
Models, Molecular Pyridines Chemistry Solvents Absorption, Physicochemical Chloroform Electrons Molecular Conformation Multivariate Analysis Proton Magnetic Resonance Spectroscopy Regression Analysis Spectrometry, Fluorescence Spectrophotometry, Ultraviolet Static Electricity Thermodynamics Journal Article Research Support, Non-u.s. Gov't Discipline Spectroscopy |
| Content Type |
Text |
| Resource Type |
Article |
| Subject |
Spectroscopy Atomic and Molecular Physics, and Optics Analytical Chemistry Instrumentation |
