DFT modeling of new (2,2'-(1,4-phenylene)bis(quinazolin-4(3H)-imine) (PBQI) based copolymers for photovoltaic applications
Sign Up to like & getrecommendations! Published in 2018 at "Physica B: Condensed Matter"
DOI: 10.1016/j.physb.2018.05.009
Abstract: Abstract In this work, we designed two novel donor-acceptor (D-A) copolymers based on 2,2'-(1,4-phenylene)bis (quinazolin-4(3H)imine) (PBQI) as potential donor materials for organic photovoltaic (OPV) devices. We studied the properties of these copolymers using density functional… read more here.
Keywords: pbqi; bis quinazolin; cpdt pbqi; quinazolin imine ... See more keywords
Discovery of Novel Dimeric Pyridinium Bromide Analogues Inhibits Cancer Cell Growth by Activating Caspases and Downregulating Bcl-2 Protein
Sign Up to like & getrecommendations! Published in 2023 at "ACS Omega"
DOI: 10.1021/acsomega.3c00526
Abstract: Flexible dimeric substituted pyridinium bromides with primary and tertiary amines are prepared by conventional and solvent-free methods. The formation of compounds 2 and 4 is much easier than that of compounds 1 and 3 because… read more here.
Keywords: bromide; cell; bis; bis methylene ... See more keywords
UNO DMRG CASCI calculations of effective exchange integrals for m-phenylene-bis-methylene spin clusters
Sign Up to like & getrecommendations! Published in 2017 at "Molecular Physics"
DOI: 10.1080/00268976.2017.1301586
Abstract: ABSTRACT Theoretical examinations of the ferromagnetic coupling in the m-phenylene-bis-methylene molecule and its oligomer were carried out. These systems are good candidates for exchange-coupled systems to investigate strong electronic correlations. We studied effective exchange integrals… read more here.
Keywords: casci; bis methylene; effective exchange; dmrg casci ... See more keywords
Structural diversity, magnetic properties and luminescence of NiII, CoII and ZnII coordination polymers derived from 3,3'-[(5-carboxy-1,3-phenylene)bis(oxy)]dibenzoic acid and 1,10-phenanthroline.
Sign Up to like & getrecommendations! Published in 2019 at "Acta crystallographica. Section C, Structural chemistry"
DOI: 10.1107/s2053229619014451
Abstract: Three novel coordination polymers (CPs), namely poly[[di-μ-aqua-bis{μ4-3,3'-[(5-carboxylato-1,3-phenylene)bis(oxy)]dibenzoato-κ5O1:O1',O3:O5:O5'}bis(1,10-phenanthroline-κ2N,N')trinickel(II)] dimethylformamide 1.5-solvate trihydrate], {[Ni3(C21H11O8)2(C12H8N2)2(H2O)2]·1.5C3H7NO·3H2O}n, (I), poly[[di-μ-aqua-bis{μ4-3,3'-[(5-carboxylato-1,3-phenylene)bis(oxy)]dibenzoato-κ5O1:O1',O3:O5:O5'}bis(1,10-phenanthroline-κ2N,N')tricobalt(II)] diethylamine disolvate tetrahydrate], {[Co3(C21H11O8)2(C12H8N2)2(H2O)2]·2C2H7N·4H2O}n, (II), and catena-poly[[aqua(1,10-phenanthroline-κ2N,N')zinc(II)]-μ-5-(3-carboxyphenoxy)-3,3'-oxydibenzoato-κ2O1:O3], [Zn(C21H12O8)(C12H8N2)(H2O)]n, (III), have been synthesized by the reaction of different metal ions (Ni2+, Co2+ and… read more here.
Keywords: coordination; bis oxy; geometry; bis ... See more keywords
Synthesis and anticancer and cytotoxic effects of novel 1,4-phenylene-bis-N-thiocarbamoylpyrazole and 1,4-phenylene-bis-pyrazolylthiazole derivatives
Sign Up to like & getrecommendations! Published in 2017 at "Turkish Journal of Chemistry"
DOI: 10.3906/kim-1604-84
Abstract: Thiazolylpyrazoline derivatives were recently reported as potent anticancer agents. In this study, novel 1,4-phenylene-bis-N-thiocarbamoylpyrazoles (3a-h and 1,4-phenylene-bis-pyrazolylthiazoles (5a-h were prepared and screened for their anticancer activities against C6 (rat brain tumor cells) and HeLa (human… read more here.
Keywords: novel phenylene; synthesis anticancer; phenylene; phenylene bis ... See more keywords