Articles with "synthesis theoretical" as a keyword



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Synthesis and theoretical study of pyrrole formiate derivatives through ring contraction of 1,4-dihydropyridines

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Published in 2018 at "Tetrahedron"

DOI: 10.1016/j.tet.2018.11.021

Abstract: Abstract Pyrrole formiate derivatives were synthesized through ring contraction of corresponding 3-carboxylate-1,4-dihydropyridines (3-CDHPs) mediated by 2,2,6,6-tetramethylpiperidine-N-oxyl (TEMPO). 2-Carboxylate-3-aryl-1H-pyrroles (2) and 3-carboxylate-4-aryl-1H-pyrroles (3) were obtained under readily accessible reaction conditions. To gain deep insights into this… read more here.

Keywords: synthesis theoretical; formiate derivatives; pyrrole formiate; ring contraction ... See more keywords
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Synthesis and Theoretical and Photophysical Study on a Series of Neutral Ruthenium(II) Complexes with Donor-Metal-Accepter Configuration.

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Published in 2023 at "Inorganic chemistry"

DOI: 10.1021/acs.inorgchem.2c03602

Abstract: In order to construct a new type of ruthenium(II) terpyridine complexes with activated triplet metal-centered (3MC) states, as well as stabilized triplet metal-to-ligand charge transfer (3MLCT) states, conducive to fine emissive performances, Ru-1, Ru-2, Ru-3,… read more here.

Keywords: theoretical photophysical; series; photophysical study; synthesis theoretical ... See more keywords
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On Transannulation in Azaphosphatranes: Synthesis and Theoretical Analysis.

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Published in 2019 at "Inorganic chemistry"

DOI: 10.1021/acs.inorgchem.9b02467

Abstract: A combined synthetic-theoretical study has been undertaken to determine the factors that influence transannulation in azaphosphatranes. The commonly used proazaphosphatrane P(i-BuNCH2CH2)3N and several of its oxidized congeners are used as model systems. The haloazaphosphatranes of… read more here.

Keywords: transannulation azaphosphatranes; azaphosphatranes synthesis; chemistry; theoretical analysis ... See more keywords
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Synthesis and theoretical calculations of metal-antibiotic chelation with thiamphenicol: in vitro DNA and HSA binding, molecular docking, and cytotoxicity studies

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Published in 2021 at "New Journal of Chemistry"

DOI: 10.1039/d1nj00293g

Abstract: New metal complexes showed the magic of the bivalent metal which have higher bioactivity than free ligand. read more here.

Keywords: antibiotic chelation; calculations metal; theoretical calculations; metal antibiotic ... See more keywords
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Design, synthesis, theoretical study, antioxidant, and anticholinesterase activities of new pyrazolo-fused phenanthrolines

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Published in 2022 at "RSC Advances"

DOI: 10.1039/d2ra05532e

Abstract: Pyrazole-fused phenanthroline compounds were obtained through several synthetic routes. NMR, HRMS, and IR techniques were used to characterize and confirm the chemical structures. Crystal structures were obtained from compounds 3a, 5b, 5j, 5k, and 5n… read more here.

Keywords: design synthesis; anticholinesterase activities; study antioxidant; theoretical study ... See more keywords