We have examined the theoretical implications of combining two main and three auxiliary ligands to form several Ir(Ⅲ)complexes featuring a transition metal as their core atom to identify some appropriate organic ligh...We have examined the theoretical implications of combining two main and three auxiliary ligands to form several Ir(Ⅲ)complexes featuring a transition metal as their core atom to identify some appropriate organic lightemitting diode(OLED)materials.By utilizing electronic structure,frontier molecular orbitals,minimum single-line absorption,triplet excited states,and emission spectral data derived from the density functional theory,the usefulness of these Ir(Ⅲ)complexes,including(piq)_(2)Ir(acac),(piq)_(2)Ir(tmd),(piq)_(2)Ir(tpip),(fpiq)_(2)Ir(acac),(fpiq)_(2)Ir(tmd),and(fpiq)_(2)Ir(tpip),in OLEDs was examined,where piq=1-phenylisoquinoline,fpiq=1-(4-fluorophenyl)isoquinoline,acac=(3Z)-4-hydroxypent-3-en-2-one,tmd=(4Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one,and tpip=tetraphenylimido-diphosphonate.These complexes all have low-efficiency roll-off properties,especially(fpiq)_(2)Ir(tpip).Some researchers have successfully synthesized complexes extremely similar to(piq)_(2)Ir(acac)through the Suzuki-Miyaura coupling reaction.展开更多
A tetranuclear Ln(Ⅲ)-based complex:[Dy_(4)(dbm)_(4)(L)_(6)(μ_(3)-OH)_(2)]·CH_(3)CN(1)(HL=5-[(4-methylbenzylidene)amino]quinolin-8-ol,Hdbm=dibenzoylmethane)was manufactured and its structure was characterized in...A tetranuclear Ln(Ⅲ)-based complex:[Dy_(4)(dbm)_(4)(L)_(6)(μ_(3)-OH)_(2)]·CH_(3)CN(1)(HL=5-[(4-methylbenzylidene)amino]quinolin-8-ol,Hdbm=dibenzoylmethane)was manufactured and its structure was characterized in detail.Xray diffraction analysis shows that complex 1 belongs to the monoclinic crystal system and its space group is P2_1/n,which contains a rhombic Dy_(4)core.Magnetic measurements of 1 suggest it possesses extraordinary single-molecule magnet(SMM)behavior.Its energy barrier U_(eff)/k_(B)was 116.7 K,and the pre-exponential coefficient τ_(0)=1.05×10~(-8)s.CCDC:2359322.展开更多
Two novel ligands named 4-styrylpyridine-2,6-dicarboxylic acid (4-SPDA) and 4-(4-(2-(2, 6-dicarboxypyridin-4-yl)- vinyl)styryl)pyridine-2,6-dicarboxylic acid(DSPDA) and their complexes with Tb(Ⅲ) were synthesized and...Two novel ligands named 4-styrylpyridine-2,6-dicarboxylic acid (4-SPDA) and 4-(4-(2-(2, 6-dicarboxypyridin-4-yl)- vinyl)styryl)pyridine-2,6-dicarboxylic acid(DSPDA) and their complexes with Tb(Ⅲ) were synthesized and characterized by infrared spectrometry, 1H nuclear magnetic resonance, elemental analysis and gas chromatograph-mass spectrometry. The ligand synthetic route was optimized. The fluorescence properties of the complex in solid state, in different kind of solvents and in solutions with different pH values were investigated in detail. The results show that the yields of DSPDA and 4-SPDA reach over 78% by Wittig-Horner reaction and other eight pyridine-2, 6-dicarboxylic acid derivatives with different substituents on pyridine ring, and their complexes with Tb(Ⅲ) are also obtained. The fluorescence intensities of the complexes with electron-donating groups are more intense than those of the complexes with electron-withdrawing groups on pyridine ring; fluorescence intensities of the complexes are the strongest in neutral solution (pH=7), and the less the dipole moment of solvent molecule is, the stronger the fluorescence intensity is. It is found that the two ligands (4-APDA and DSPDA) are the good sensitizers for Tb(Ⅲ) ion.展开更多
The availability of chemical and biological data presented in this paper is the basis for understanding not only the current state of anti-cancer drugs based on gold(Ⅲ),but also the rationale for strategies for futur...The availability of chemical and biological data presented in this paper is the basis for understanding not only the current state of anti-cancer drugs based on gold(Ⅲ),but also the rationale for strategies for future drug design.New Au(Ⅲ)nanosized complexes of cefotaxime(ceph-3)and cefepime(ceph-4)ligands as a 3rd and 4th of cephalosporin generation drugs were synthesized.Gold(Ⅲ)complexes were discussed based on the elemental,molar conductance,thermal and magnetic moment measurements as well as spectral(FTIR,1HNMR,UV-Vis,and XRD)techniques.FT-IR spectra revealed that the ceph-3 and ceph-4 ligands reacted as a bidentate ligands through carboxylate oxygen andβ-lactam oxygen groups.The analytical analysis confirm that the molar ratio is 1∶1(Au 3+/ceph)with general formula[Au(L)(Cl)2]where L=ceph-3 or ceph-4.The structures of Au(Ⅲ)complexes were presence as a square planar geometry.X-ray diffraction patterns referred to a crystalline nature for all synthesized complexes.TEM analyses confirmed that the synthetic gold(Ⅲ)complexes have a nanosized particles.In vitro antimicrobial activities of Au(Ⅲ)complexes were evaluated towards two types of bacteria(G+&G-).The antitumor activities of gold(Ⅲ)complexes are appraised against breast(MCF-7)and colorectal adenocarcinoma(Caco-2)cell lines,which means that the two complexes may consider promising anticancer drugs.展开更多
The novel bismuth?complex with dithiotetrahydropyrrolocarbamate, [Bi(S2CNC4H8 )3]2 has been synthesized. The crystal structure has been determined by X-ray s ingle crystal diffraction. The crystal belongs to monoclini...The novel bismuth?complex with dithiotetrahydropyrrolocarbamate, [Bi(S2CNC4H8 )3]2 has been synthesized. The crystal structure has been determined by X-ray s ingle crystal diffraction. The crystal belongs to monoclinic with space group C2 /c, a=1.6356(9) nm, b=1.1875(6) nm, c=2.3954(13) nm, β=100.741(8)°, Z=4, V=4.5 71(4) nm3, Dx=1.882g·cm-3,μ=8.267mm-1, F(000)=2512, R=0.0404, wR=0.0622. In this binuclear complex, each Bi?is seven coordinate with a distorted pentagonal bipyramidal geometry. CCDC: 179924.展开更多
A new Bismuth(Ⅲ)-Lanthanum(Ⅲ) heterobimetallic polymer complex,{[(H2O)5La(μ4-edta)Bi(NO3)2]·3H2O}n(edta=diaminetetraacecarboxylate),has been hydrothermally synthesized and characterized by elemental analysis,F...A new Bismuth(Ⅲ)-Lanthanum(Ⅲ) heterobimetallic polymer complex,{[(H2O)5La(μ4-edta)Bi(NO3)2]·3H2O}n(edta=diaminetetraacecarboxylate),has been hydrothermally synthesized and characterized by elemental analysis,FT-IR,and X-ray diffraction single crystal structure analysis.It crystallizes in the monoclinic system,with space group P2(1)/n,a=1.27395(5)nm,b=0.82608(4) nm,c=2.38819(11) nm,β=104.9000(10)°,V=2.42879(19) nm3,Z=4,Dc=2.438 g·cm-3,μ=9.077mm-1,F(000)=1678,R1=0.0343,wR2=0.0906.In this complex,Bi atom is coordinated by four carboxyl O atoms from a single edta4-anion.La atom is bonded to four O atoms from four bridging carboxyl O atoms belonging to four different edta4-anions and five O atoms from five H2O molecules.Bi atoms and La atoms are linked by bridged edta4-anions,resulting into a novel infinite 3D network structure.TG-DSC and IR indicate that thermal decomposition proceeds in several stages,dehydration,pyrolysis of ligand,and finally decomposition of salt,and the residue is composite oxide based on δ-Bi2O3 at the temperature of 600℃.展开更多
In this paper, the title complex K[In Ⅲ(Hdtpa)]·3.5H 2O(dtpa=diethylenetriaminepentaacetic acid) was synthesized and its crystal structure was determined by single crystal X ray structure analysis. The crystal b...In this paper, the title complex K[In Ⅲ(Hdtpa)]·3.5H 2O(dtpa=diethylenetriaminepentaacetic acid) was synthesized and its crystal structure was determined by single crystal X ray structure analysis. The crystal belongs to monoclinic system, P 2 1/ c (No.14) space group with a =0.978 1(2) nm, b =0.733 8(1) nm , c =2.962 9(6) nm, β =91.81(3)°, V =0.212 6(1) nm 3, Z =4, M =606.31, D x=1.895 g·cm -3 , μ =1.382 1 mm -1 , F (000)=1 228, R =0.035 and R w=0.041 for 2 802 unique reflections. The complex anion [In Ⅲ(Hdtpa)] - has a pseudo monocapped trigonal prismatic seven coordination structure in which the seven coordinate atoms, three N and four O atoms, are all from a ligand dtpa. In addition, it can be seen that the complex anion [In Ⅲ(Hdtpa)] - can furnish a free carboxyl group(—CH 2COOH) being used for molecular embellishment to form the target diagnosis and treat drug of anticancer. [WT5HZ]展开更多
文摘We have examined the theoretical implications of combining two main and three auxiliary ligands to form several Ir(Ⅲ)complexes featuring a transition metal as their core atom to identify some appropriate organic lightemitting diode(OLED)materials.By utilizing electronic structure,frontier molecular orbitals,minimum single-line absorption,triplet excited states,and emission spectral data derived from the density functional theory,the usefulness of these Ir(Ⅲ)complexes,including(piq)_(2)Ir(acac),(piq)_(2)Ir(tmd),(piq)_(2)Ir(tpip),(fpiq)_(2)Ir(acac),(fpiq)_(2)Ir(tmd),and(fpiq)_(2)Ir(tpip),in OLEDs was examined,where piq=1-phenylisoquinoline,fpiq=1-(4-fluorophenyl)isoquinoline,acac=(3Z)-4-hydroxypent-3-en-2-one,tmd=(4Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one,and tpip=tetraphenylimido-diphosphonate.These complexes all have low-efficiency roll-off properties,especially(fpiq)_(2)Ir(tpip).Some researchers have successfully synthesized complexes extremely similar to(piq)_(2)Ir(acac)through the Suzuki-Miyaura coupling reaction.
文摘A tetranuclear Ln(Ⅲ)-based complex:[Dy_(4)(dbm)_(4)(L)_(6)(μ_(3)-OH)_(2)]·CH_(3)CN(1)(HL=5-[(4-methylbenzylidene)amino]quinolin-8-ol,Hdbm=dibenzoylmethane)was manufactured and its structure was characterized in detail.Xray diffraction analysis shows that complex 1 belongs to the monoclinic crystal system and its space group is P2_1/n,which contains a rhombic Dy_(4)core.Magnetic measurements of 1 suggest it possesses extraordinary single-molecule magnet(SMM)behavior.Its energy barrier U_(eff)/k_(B)was 116.7 K,and the pre-exponential coefficient τ_(0)=1.05×10~(-8)s.CCDC:2359322.
基金Project(20761002) supported by the National Natural Science Foundation of China
文摘Two novel ligands named 4-styrylpyridine-2,6-dicarboxylic acid (4-SPDA) and 4-(4-(2-(2, 6-dicarboxypyridin-4-yl)- vinyl)styryl)pyridine-2,6-dicarboxylic acid(DSPDA) and their complexes with Tb(Ⅲ) were synthesized and characterized by infrared spectrometry, 1H nuclear magnetic resonance, elemental analysis and gas chromatograph-mass spectrometry. The ligand synthetic route was optimized. The fluorescence properties of the complex in solid state, in different kind of solvents and in solutions with different pH values were investigated in detail. The results show that the yields of DSPDA and 4-SPDA reach over 78% by Wittig-Horner reaction and other eight pyridine-2, 6-dicarboxylic acid derivatives with different substituents on pyridine ring, and their complexes with Tb(Ⅲ) are also obtained. The fluorescence intensities of the complexes with electron-donating groups are more intense than those of the complexes with electron-withdrawing groups on pyridine ring; fluorescence intensities of the complexes are the strongest in neutral solution (pH=7), and the less the dipole moment of solvent molecule is, the stronger the fluorescence intensity is. It is found that the two ligands (4-APDA and DSPDA) are the good sensitizers for Tb(Ⅲ) ion.
基金the Deanship of Scientific Research at Princess Nourah bint Abdulrahman University,through the Research Funding Program(#RFP-1440-3)。
文摘The availability of chemical and biological data presented in this paper is the basis for understanding not only the current state of anti-cancer drugs based on gold(Ⅲ),but also the rationale for strategies for future drug design.New Au(Ⅲ)nanosized complexes of cefotaxime(ceph-3)and cefepime(ceph-4)ligands as a 3rd and 4th of cephalosporin generation drugs were synthesized.Gold(Ⅲ)complexes were discussed based on the elemental,molar conductance,thermal and magnetic moment measurements as well as spectral(FTIR,1HNMR,UV-Vis,and XRD)techniques.FT-IR spectra revealed that the ceph-3 and ceph-4 ligands reacted as a bidentate ligands through carboxylate oxygen andβ-lactam oxygen groups.The analytical analysis confirm that the molar ratio is 1∶1(Au 3+/ceph)with general formula[Au(L)(Cl)2]where L=ceph-3 or ceph-4.The structures of Au(Ⅲ)complexes were presence as a square planar geometry.X-ray diffraction patterns referred to a crystalline nature for all synthesized complexes.TEM analyses confirmed that the synthetic gold(Ⅲ)complexes have a nanosized particles.In vitro antimicrobial activities of Au(Ⅲ)complexes were evaluated towards two types of bacteria(G+&G-).The antitumor activities of gold(Ⅲ)complexes are appraised against breast(MCF-7)and colorectal adenocarcinoma(Caco-2)cell lines,which means that the two complexes may consider promising anticancer drugs.
文摘The novel bismuth?complex with dithiotetrahydropyrrolocarbamate, [Bi(S2CNC4H8 )3]2 has been synthesized. The crystal structure has been determined by X-ray s ingle crystal diffraction. The crystal belongs to monoclinic with space group C2 /c, a=1.6356(9) nm, b=1.1875(6) nm, c=2.3954(13) nm, β=100.741(8)°, Z=4, V=4.5 71(4) nm3, Dx=1.882g·cm-3,μ=8.267mm-1, F(000)=2512, R=0.0404, wR=0.0622. In this binuclear complex, each Bi?is seven coordinate with a distorted pentagonal bipyramidal geometry. CCDC: 179924.
文摘A new Bismuth(Ⅲ)-Lanthanum(Ⅲ) heterobimetallic polymer complex,{[(H2O)5La(μ4-edta)Bi(NO3)2]·3H2O}n(edta=diaminetetraacecarboxylate),has been hydrothermally synthesized and characterized by elemental analysis,FT-IR,and X-ray diffraction single crystal structure analysis.It crystallizes in the monoclinic system,with space group P2(1)/n,a=1.27395(5)nm,b=0.82608(4) nm,c=2.38819(11) nm,β=104.9000(10)°,V=2.42879(19) nm3,Z=4,Dc=2.438 g·cm-3,μ=9.077mm-1,F(000)=1678,R1=0.0343,wR2=0.0906.In this complex,Bi atom is coordinated by four carboxyl O atoms from a single edta4-anion.La atom is bonded to four O atoms from four bridging carboxyl O atoms belonging to four different edta4-anions and five O atoms from five H2O molecules.Bi atoms and La atoms are linked by bridged edta4-anions,resulting into a novel infinite 3D network structure.TG-DSC and IR indicate that thermal decomposition proceeds in several stages,dehydration,pyrolysis of ligand,and finally decomposition of salt,and the residue is composite oxide based on δ-Bi2O3 at the temperature of 600℃.
文摘In this paper, the title complex K[In Ⅲ(Hdtpa)]·3.5H 2O(dtpa=diethylenetriaminepentaacetic acid) was synthesized and its crystal structure was determined by single crystal X ray structure analysis. The crystal belongs to monoclinic system, P 2 1/ c (No.14) space group with a =0.978 1(2) nm, b =0.733 8(1) nm , c =2.962 9(6) nm, β =91.81(3)°, V =0.212 6(1) nm 3, Z =4, M =606.31, D x=1.895 g·cm -3 , μ =1.382 1 mm -1 , F (000)=1 228, R =0.035 and R w=0.041 for 2 802 unique reflections. The complex anion [In Ⅲ(Hdtpa)] - has a pseudo monocapped trigonal prismatic seven coordination structure in which the seven coordinate atoms, three N and four O atoms, are all from a ligand dtpa. In addition, it can be seen that the complex anion [In Ⅲ(Hdtpa)] - can furnish a free carboxyl group(—CH 2COOH) being used for molecular embellishment to form the target diagnosis and treat drug of anticancer. [WT5HZ]
