二苯并-14-冠-4及其金屬絡合物結構的理論計算及實驗研究.pdf

1、成都理工大學碩士學位論文二苯并14冠4及其金屬絡合物結構的理論計算及實驗研究姓名：劉建容申請學位級別：碩士專業(yè)：化學工藝學指導教師：梁渠閆書一20070501成都理T人學壩L學位論文THEoRITICALANDEXPERIMENTALSTUDYoFDBl4C4ANDITSCoMPLEXABSTRACTTheapplicationsoflithiumandtheircompoundsaremoreandmoreextensive，buti

2、nChinatheextractionoflithiumfrombrinelakeisalwaysaproblemastheratioofmagnesiumandlithiumisveryhigh，andthepropertiesoflithiumandmagnesiumareverysimilarcrownethersthatareman—madecyclicmultidentateligandhavebeenthemostinves

3、tigatedTheselectivityofcrownetherstowardmetalionsmightbeusefulforextractionofmetalionsfromnaturalSOurces，whichareveryimportantinapplicationofcrownetherThepropertiesofcrownethersdependontheirconstitutions，Thereareveryimpo

4、rtantrelationshipsbetweenstructureofthecrownetherandcationselectivityaswellastheircomplexchemistryAnattempttofindallmostexcellentmethodtopreparedibenzo一14crown一4usingcatechol，lithiumhydroxide，13一dibromopropnebyoptimizing

5、conditionsofthereactionandusingsupersonicsynthesismethodinthispaperFurthermore，usingatypeU—typecellfluxesandselectivitiesforcompetitiveLi、M92transportacrossbulkmembranesbythelipophilicdibenzo14crown4carrierhavebeendeterm

6、inedinavarietyofsolventsInaddition，aquantummechanicalresearchwhichusethedensityfunctionaltheorytooptimizeconfigurmionandanalysefrequencyatB3LYP／6—31GlevelintheGanssian98wascarriedoutTheresultsshowwhenusingthemixofisoamyl

7、alcoholanddimethylsulfoxideassolvent，andthefirstaddingratioof1，3dibromopropaneis1／4，1／3，thequantityof1，3dibromopropaneisfarmorethanpyrocatechol，it’SfavorablefortheformationofintermediateproductOnlyusingdimethylsulfoxidea

8、ssolvent，duringtheperiodofultrasonicsynthesisinthetemperature80。C，reactionspeedarequicker(2h)，productivityisalsofairlygood(403％1UsingatypeU—typecellfluxesandselectivitiesforcompetitiveLi、M92transportexperimentsinchlorofo

9、rm，acetone，methanol，Theselectivityisdifferentandthemobilityalsoexistencedifferenceindifferentsolvents，intheehloroform，thelithiummobilityismaximal(148％)，theselectivitytothelithiumisalsohigherDibenzo一14一crown4carlformcryst

10、alwithLiSCN，LiOH，andsomestructureparametersofcomplexareobtmnedwithcrystaldiffractionThreestableconfigurationsareobtainedwithoptimizedstructurecalculating，andallthefrequencyvalueispositive，thestrongestrelativelyinfraredin