Push–pull molecular structures based on angular benzobisthiazolium acceptor: synthesis, photophysical properties and theoretical studies
A series of eight conjugated donor-π-acceptor (D-π-A) molecules based on an angular benzobisthiazolium acceptor core was designed, synthesized and fully characterized. The physical and optical properties of the prepared compounds were tuned by variations of amino substituents at the donor part of th...
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| Veröffentlicht in: | Tetrahedron 2015-01, Vol.71 (2), p.315-323 |
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| creator | Čibová, Alexandra Magdolen, Peter Fülöpová, Andrea Kožíšek, Jozef Cigáň, Marek Zahradník, Pavol |
| description | A series of eight conjugated donor-π-acceptor (D-π-A) molecules based on an angular benzobisthiazolium acceptor core was designed, synthesized and fully characterized. The physical and optical properties of the prepared compounds were tuned by variations of amino substituents at the donor part of the structures. Negative solvatochromism is a typical property of these derivatives. Quantum chemical DFT calculations with full geometry optimization were performed and energy indices including energies of frontier orbitals were calculated. Fluorescence characteristics were measured and the singlet oxygen production was assayed for the compounds with very low emission. A comparison of selected spectral and non-linear optical properties of the prepared compounds with various thiazole based push–pull compounds was carried out.
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| doi_str_mv | 10.1016/j.tet.2014.11.047 |
| format | Article |
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[Display omitted]</description><subject>Benzobisthiazoles</subject><subject>Derivatives</subject><subject>DFT calculations</subject><subject>Emission</subject><subject>Fluorescence</subject><subject>Mathematical analysis</subject><subject>NLO response</subject><subject>Optical properties</subject><subject>Optimization</subject><subject>Solvatochromism</subject><subject>Spectra</subject><subject>Tetrahedrons</subject><subject>Thiazolium salts</subject><issn>0040-4020</issn><issn>1464-5416</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2015</creationdate><recordtype>article</recordtype><recordid>eNp9kL2O1DAQxyMEEsvBA9C5pCC5mazjeKFCp4NDOgkKqC2vMyFeZePgsZH2Kmpa3pAnwXdLTTXS_D8086uqlwgNAqrLQ5MoNS2gbBAbkP2jaoNSybqTqB5XGwAJtYQWnlbPmA8AgNhuN9Wvz5mnPz9_r3mexTHM5PJso-AUs0s5Eou9ZRpEWIRdvj1oe1ruwt5zmry9C7PPR2GdozWF-EbwaUkTsefXYp1CCut0Yu_sLNYYVorJl0a7DKKYQqT0IHHKQ9k_r56MdmZ68W9eVF_fX3-5uqlvP334ePXutnYSINWuU6Pcjdg6hXI7gFba9oNG1xJoN9IWRi21VtJp7eweFew6PfTYd-NYIHTbi-rVubec9D0TJ3P07Gie7UIhs8FeStWrne6LFc9WFwNzpNGs0R9tPBkEc8_dHEzhbu65G0RTuJfM23OGyg8_PEXDztPiaPCRXDJD8P9J_wX2sJBN</recordid><startdate>20150114</startdate><enddate>20150114</enddate><creator>Čibová, Alexandra</creator><creator>Magdolen, Peter</creator><creator>Fülöpová, Andrea</creator><creator>Kožíšek, Jozef</creator><creator>Cigáň, Marek</creator><creator>Zahradník, Pavol</creator><general>Elsevier Ltd</general><scope>AAYXX</scope><scope>CITATION</scope><scope>7SR</scope><scope>7U5</scope><scope>8BQ</scope><scope>8FD</scope><scope>JG9</scope><scope>L7M</scope></search><sort><creationdate>20150114</creationdate><title>Push–pull molecular structures based on angular benzobisthiazolium acceptor: synthesis, photophysical properties and theoretical studies</title><author>Čibová, Alexandra ; Magdolen, Peter ; Fülöpová, Andrea ; Kožíšek, Jozef ; Cigáň, Marek ; Zahradník, Pavol</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c400t-c56f49f12c6143d0868a7d81c2e08cfe30f848864c88cab160958d7175ff04053</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2015</creationdate><topic>Benzobisthiazoles</topic><topic>Derivatives</topic><topic>DFT calculations</topic><topic>Emission</topic><topic>Fluorescence</topic><topic>Mathematical analysis</topic><topic>NLO response</topic><topic>Optical properties</topic><topic>Optimization</topic><topic>Solvatochromism</topic><topic>Spectra</topic><topic>Tetrahedrons</topic><topic>Thiazolium salts</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Čibová, Alexandra</creatorcontrib><creatorcontrib>Magdolen, Peter</creatorcontrib><creatorcontrib>Fülöpová, Andrea</creatorcontrib><creatorcontrib>Kožíšek, Jozef</creatorcontrib><creatorcontrib>Cigáň, Marek</creatorcontrib><creatorcontrib>Zahradník, Pavol</creatorcontrib><collection>CrossRef</collection><collection>Engineered Materials Abstracts</collection><collection>Solid State and Superconductivity Abstracts</collection><collection>METADEX</collection><collection>Technology Research Database</collection><collection>Materials Research Database</collection><collection>Advanced Technologies Database with Aerospace</collection><jtitle>Tetrahedron</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Čibová, Alexandra</au><au>Magdolen, Peter</au><au>Fülöpová, Andrea</au><au>Kožíšek, Jozef</au><au>Cigáň, Marek</au><au>Zahradník, Pavol</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Push–pull molecular structures based on angular benzobisthiazolium acceptor: synthesis, photophysical properties and theoretical studies</atitle><jtitle>Tetrahedron</jtitle><date>2015-01-14</date><risdate>2015</risdate><volume>71</volume><issue>2</issue><spage>315</spage><epage>323</epage><pages>315-323</pages><issn>0040-4020</issn><eissn>1464-5416</eissn><abstract>A series of eight conjugated donor-π-acceptor (D-π-A) molecules based on an angular benzobisthiazolium acceptor core was designed, synthesized and fully characterized. The physical and optical properties of the prepared compounds were tuned by variations of amino substituents at the donor part of the structures. Negative solvatochromism is a typical property of these derivatives. Quantum chemical DFT calculations with full geometry optimization were performed and energy indices including energies of frontier orbitals were calculated. Fluorescence characteristics were measured and the singlet oxygen production was assayed for the compounds with very low emission. A comparison of selected spectral and non-linear optical properties of the prepared compounds with various thiazole based push–pull compounds was carried out.
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| ispartof | Tetrahedron, 2015-01, Vol.71 (2), p.315-323 |
| issn | 0040-4020 1464-5416 |
| language | eng |
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| source | ScienceDirect Journals (5 years ago - present) |
| subjects | Benzobisthiazoles Derivatives DFT calculations Emission Fluorescence Mathematical analysis NLO response Optical properties Optimization Solvatochromism Spectra Tetrahedrons Thiazolium salts |
| title | Push–pull molecular structures based on angular benzobisthiazolium acceptor: synthesis, photophysical properties and theoretical studies |
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