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Published in 2017 at "Journal of Molecular Modeling"
DOI: 10.1007/s00894-017-3551-1
Abstract: AbstractThe structures and stabilities of 2,2′-diBeX-1,1′-biphenyl (X = H, F, Cl, CN) derivatives and their affinities for F−, Cl−, and CN− were theoretically investigated using a B3LYP/6–311 + G(3df,2p)//B3LYP/6–31 + G(d,p) model. The results obtained show that the 2,2′-diBeX-1,1′-biphenyl derivatives (X = H,…
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Keywords:
anion;
biphenyl derivatives;
dibex biphenyl;
beryllium containing ... See more keywords
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Published in 2020 at "Russian Chemical Bulletin"
DOI: 10.1007/s11172-020-2911-7
Abstract: The palladium-catalyzed amination was used to synthesize optically active 3,3’-diaminosubstituted biphenyl derivatives (in particular, macrocyclic derivatives) decorated with additional fluorophore groups (dansyl and 7-methoxycoumarin). The synthesized compounds were studied by spectroscopic methods (UV spectroscopy, fluorescence)…
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Keywords:
optically active;
biphenyl derivatives;
palladium catalyzed;
amino alcohols ... See more keywords
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Published in 2020 at "Chinese Chemical Letters"
DOI: 10.1016/j.cclet.2019.09.058
Abstract: Abstract (±)-Magoilgomer A [(±)-1] and magoilgomer B (2) were identified from the bark of Magnolia officinalis var. biloba. (+)-1 and (−)-1 were a pair of novel biphenyl derivatives featuring three C6-C3 subunits. 2 was an…
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Keywords:
magnolia officinalis;
biphenyl derivatives;
var biloba;
bark magnolia ... See more keywords
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Published in 2020 at "Synthetic Metals"
DOI: 10.1016/j.synthmet.2020.116474
Abstract: Abstract The electronic structures and the charge transport properties of the biphenyl derivatives were calculated using density functional theory (DFT). The values of ionization potential (IP) of all the compounds were found in the range…
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Keywords:
gap;
band gap;
charge transport;
biphenyl derivatives ... See more keywords