简介:SYNTHESISANDANTI-HUMANIMMUNODEFICIENCYVIRUS-1(HIV-1)ACTIVITYOF9-(2-PHOSPHONYLMETHOXYETHYL)ADENINE(1)ANDITSREGIOISOMER3-(2-PHO...
简介:Thetitlecomplexi-C4H9Co(salen)(Py)(Py=pyridine.salen=dianionofdisalicylideneethylenediamine)hasbeenfirstsynthesized.ItscrystalstructurehasbeendeterminedbyX-raydiffractionmethod.ThecrystsisaremonoclinicwithspacegroupP21/C.Theunitcellparametesarepresented.ThestructurehasbeenrefinedtoafinalRof0.038.
简介:9,10-Phenanthrenequinone(PQ)andbenzilareimportantα-diketones.ThismanuscriptexplainsthefirstcomparisonofPQandbenzilmolecularproperties.Wehaveused1HNMR,13CNMR,1H-1HCOSY,HMBC,HMQC,UV-Visabsorptionandemission,CVandTGAexperimentstostudyPQandbenzilthatprovidedthefollowingnovelresults.(1)The1HNMR(CDCl3)ofPQshowδ8.19(H1),8.02(H4),7.72(H3),7.47(H2)insteadofanearlierreportedδ8.25(H4),8.08(H1),7.80(H2),7.55(H3);(2)inthe13CNMR(CDCl3),theC9/C10(C=O)signalofPQappearsupfield(δ180.3)comparedtoC9/C10(C=O)signalofbenzil(δ194.5),whichshowshigherelectrophiliccharacter(moreattractivefornucleophiles)ofC9/C10(C=O)ofbenzil;(3)thefirstλmaxfortheUV-VisabsorptionandemissionofPQareblue-shiftedcomparedtobenzildespiteincreasedconjugationattributedtothedifferentsymmetries(C2vforPQandC2hforBenzil)ofthetwomolecules;(4)theemissionspectrumofbenzilisbroadercomparedtothatofPQduetoslowerrelaxationoftheexcitedstate;(5)TheCVstudyshowsthatPQandbenzilaregoodelectronacceptorsandPQshowsabetterreductionprocessthanbenzilduetoanextraringthatprovidesstabilityforthereducedspecies(monoordiradicalanions);(6)TGAshowsthehigherthermalstabilityofPQthanbenzilattributedtothepresenceofphenanthreneunitinPQ.
简介:Anovelaciddyeacidwassynthesizedbythecondensationreactionbetweenbromamineacidand2-amino-6-nitrobenzothiazoleanditsanti-UVprotectionpropertieswereevaluated.Theresultsshowedthatsilkdyedwiththisdyehadverygoodultravioletradiationprotectioncapabilityandexcellentdyeingperformance.TheUV-absorptionmechanismofthisdyewasalsodiscussed.
简介:6,9,11-Trihydroxy-6a,12a-dehydrorotenoid1(coccineoneB)wassynthesizedfrom2-hydroxybenzaldehyde2andphloroglucinol.
简介:Thereactionof1-phenyl-3-methyl-4-benzoyl-2,5-dihydro-1H-pyrazol-5-one(PMBP)andmethyldithiocarbazate(mdtc)inmethanolresultsinformationofayellowcrystallinesolid,adductof1-phenyl-3-methyl-4benzoyl-2,5-dihydro-lH-pyrazol-5-oneandmethyldithiocarbazate.Whentheyellowsolidsweredissolvedinamixtureofmethanolandether(1:4),aredcrystal,whichisanoxidationproductoftheformer,wasobtainedbyallowingsolventtoevaporateforafewdaysatroomtemperature.TheX-rayanalysisoftheredcrystalindicatesthatitisanoveldisulfidewithaspecialstructurelikea“U”conformationinthesolidstate.
简介:α-Aminonitrileswerepreparedefficientlyfromanodiccyanationofα-aminoester.Theeffectofdifferentsolventsandelectrolyteswasstudied.Theotherbyproductswereanalyzed.
简介:NewrareearthvanadatesYSrQ-xCaxV3O9-y(x=0.0,0.67,1.0,1.33and2.0)havebeensynthesizedbyanewsimplemethod.X-raypowderdiffractionresultsshowthattheyaremono-phase.Theybelongtoorthorhombicstructureandtheirlatticeconstantsarecalculated.TheresultsofweightgainsinTGcurvesshowthatthelowervalentvanadiumisoxidizedtohighervalentstateathighertemperature.Theoxygencontentsofnewcompoundsarecalculatedfromtheweightgains.BothV3+andV4+coexistinYSr2-xCaxV3O9-y.Thesecompoundsexhibitlowelectricresistivityatroomtemperature.
简介:Wehavesuccessfullysynthesized1-(2′-Phenyl)cycloproply1-2,3-epoxypropan-1-ol3,whichwillbeappliedtothekineticsstudyofoxiranylcarbinylradical.
简介:Treatmentof4-amino-3-(1-aryl-5-methyl-1,2,3-triazol-4-yl)-5-mercapto-1,2,4-triazoles/2-amino-5-(1-aryl-5-methyl-1,2,3-triazole-4-yl)-1,3,4-thiadiazoleswithbenzaldehyde,acetoneandω-bromoacetophenonewastestedandcompared.ThetitlecompoundsSchiffbases,amides,imidazolo[2,1-b]-1,3,4-thiadiazolesand7H-s-triazolo[3,4-b]-1,3,4-thiadiazineshavebeenconfirmedbyelementalanalyses,^1HNMR,IRandMSspectra.AllthecompoundshavealsobeenscreenedfortheirantibacterialactivitiesagainstB.subtilis,S.aureusandE.coli.
简介:
简介:Thispaperreportstwolanthanidecomplexesofformula(C9H7)Ln(C8H8)·(THF)2whereLnisProrNd,C9H7isindenyl,andC8H8iscyclooctatetraene(COT).ThecomplexeswerepreparedbythereactionofLnCl3withK(C9H7)andK2(C8H8)inTHF.(C9H7)Pr(C8H8)·(THF)2crystallizesinTHFat-15℃inthemonoclinicspacegroupP21:withunitcelldimensionsa=8.446(0),b=10.083(2),c=13.407(3),β=105.48(1)°,V=1100.43(35)3,Dc=1.52g/cm3andZ=2.ThefinalRvalueis0.033,Rwvalueis0.030,respectively.In(C9H7)Pr(C8H8)·(THF)2afive-memberedringcentroidofC9H7,theC8H8ringcentroidandthetwooxygenatomsfromthetwoTHFmoleculesformadistortedtetrahedralgeometryaroundthemetal.
简介:合成了2个N-(2-乙胺)-9,10-二氢蒽-9,10-桥-α,β-琥珀酰亚胺希夫碱衍生物,利用单晶X-射线衍射法测定了它们的晶体结构.化合物1为正交晶系,Pca21空间群,晶胞参数a=1.13259(15)nm,b=2.5356(4)nm,c=0.83582(12)nm;α=90.00°,β=90.00°,γ=90.00°,V=2.4003(6)nm3,Z=4;化合物2为三斜晶系,P-1空间群,晶胞参数a=1.0129(15)nm,b=1.1901(16)nm,c=1.3075(18)nm;α=67.17(3)°,β=72.88(3)°,γ=75.41(3)°,V=1.371(3)nm3,Z=2.
简介:利用Gaussian03软件包,采用多种方法和多种基组对CCl和CCl2分子的基态结构进行优化计算,优选出B3P86/6-311+G(3df)方法对CCl分子进行计算得到基态为X2Π、键长RCCl=0.16442nm,谐振频率ωe=886.3062cm-1;优选出B3P86/6-311G(2df)方法对CCl2分子进行计算得到基态为X1A1,平衡核间距RC—Cl=0.17194nm、键角βCl—C—Cl=109.2457°、离解能De=3.4635eV,并计算出了谐振频率和力常数,其结果与实验值符合很好.并采用多体展式理论推导出CCl2自由基的解析势能函数,其等值势能图准确呈现出CCl2分子的结构特征及能量变化曲线.由此讨论了Cl+CCl和C+ClCl分子反应的势能面特征.可用于研究该分子的微观反应动力学特性.