|
OALib Journal期刊
ISSN: 2333-9721
费用：99美元
|
|
|
|
含氮和硼掺杂的六元环的非线性光学化合物的几何结构和第一超极化率
, PP. 72-76
Keywords: hf,杂环,非线性光学,第一超极化率
Abstract:
采用hf/6-31g(d)//cphf/6-31g(d)方法研究了含氮和硼掺杂的六元环非线性光学化合物的优化结构、第一超极化率和其它物理性质.根据计算结果分析和讨论了推/吸电子基团的取代位置和极化率对体系的超极化率的影响.本文的研究结果有助于设计新型的非线性光学材料.
| [1] | chenglaptak,tamwilson,mardersethr,eta.lexperimentalinvestigationsoforganicmolecularnonlinearopticalpolarlzabllities.2.astudyofconjugationdependences[j].jphyschem,1991,95(26):10643-10652.
|
| [2] | millerrd,leevy,moylancr.substitutedazolederivativesasnonlinearopticalchromophores[j].chemmater,1994,6(7),1023-1032.
|
| [3] | groenendaall,bruiningmj,hendrickxehj,eta.lsynthesisandnonlinearopticalpropertiesofaseriesofdonor-oligopyrrole-acceptormolecules[j].chemmater,1998,10(1):226-234.
|
| [4] | brasselets,cheriouxf,audebertp,eta.lnewoctupolarstar-shapedstrucuresforquadraticnonlinearoptics[j].chemmater,1999,11(7):1915-1920.
|
| [5] | shuyc,gongzh,shucf.synthesisandcharacterizationofnonlinearopticalchromophoreswithconformationallylockedpolyenespossessingenhancedthermalstability[j].chemmater,1999,11(6):1628-1632.
|
| [6] | 王娟娟,朱小蕾,陈凯.1,2,3,4-四氢喹唑啉衍生物的第一超极化率的理论研究[j].南京师大学报:自然科学版,2006,29(2):66-72.
|
| [7] | dirkcw,katzhe,schillingml.useofthiazoleringstoenhancemolecularsecondordernonlinearopticalsusceptibilities[j].chemmater,1990,2(6):700-705.
|
| [8] | meyersf,brcdasjl,zyssj.electronicstructureandnonlinearopticalpropertiesofpush-pullpolyenes:theoreticalinvest-igationofbenzodithiapolyenalsanddithiolenepolyenals[j].jamchemsoc,1992,114(8):2914-2921.
|
| [9] | manuelam,raposoam,kirschg.formylation,dicyanovinylationandtricyan-ovinylationof5-alkoxy-and5-amino-substituted2,2.-bithiophenes[j].tetrahedron,2003,59(26):4891-4899..
|
| [10] | batistarmf,costaspg.synthesisofnewfluorescent2-(2c,2d-bithienyl)-1,3-benzothiazoles[j].tetrahedronlett,2004,45(13):2825-2828.
|
| [11] | choonsupraa,seokchankim.p-bridging1,3-heterocyclicaromaticringsandthefirsthyperpolarizabilityofnonlinearopticalcompounds[j].jmolstruct(theochiem),2004,677(1/3):173-178.
|
| [12] | janczarekifuks,lucj,sahraouib,eta.lthird-ordernonlinearopticalfigureofmeritsforconjugatedttf)quinonemolecules[j].jphyschemb,2005,109(20):10179-10183.
|
| [13] | nandiprasantakumar,mandalk.theoreticalstudyofstaticsecond-ordernonlinearopticalpropertiesofpush-pullheteroquinonoiddimers[j].jmolstruct(theochiem),2006,760(1/3):235-244.
|
| [14] | gallis,masciocchin,cariatie,eta.lquestforsecond-harmonic-generation-activecoordinationpolymers:synthesisandpropertiesofsilver(i)pyrimidinolates[j].chemmater,2005,17(19):4815-4824.
|
| [15] | zhuxl,youxz,zhangy.anovelapproachtocalculationofthesecond-ordernonlinearopticalsusceptibilitiesoforganiccrystalsbasedonenergy-bandtheory[j].chemphys,2000,254(2/3):287-296.
|
| [16] | lizhong.an,dongshoucheng,yugu,ieta.lnovelsecond-ordernonlinearopticalmain-chainpolyurethanes:adjustablesubtlestructure,improvedthermalstabilityandenhancednonlinearopticalproperty[j].polymer,2007,48(19):5520-5529.
|
| [17] | ugurlug,kasape,kantarciz,eta.latheoreticalstudyofthelinear,nonlinearopticalpropertiesandconformationalanalysisof3-phenylthiopheneanditsfluoroderivativeswithtorsionaldependence[j].jmolstruct,2007:834-836,508-515.
|
| [18] | exnerk,schleyerpvonr.planarhexacoordinatecarbon:aviablepossibility[j].science,2000,290:1937-1940
|
Full-Text
|
|
Contact Us
service@oalib.com QQ:3279437679 
WhatsApp +8615387084133
|
|
