N，N-二甲基甲酰胺-醇體系光譜研究及締合模型的理論研究.pdf

1、曲阜師范大學(xué)碩士學(xué)位論文N，N二甲基甲酰胺醇體系光譜研究及締合模型的理論研究姓名：王培貴申請學(xué)位級別：碩士專業(yè)：化學(xué)物理化學(xué)指導(dǎo)教師：孫海濤20070401曲阜師范大學(xué)碩士學(xué)位論文AbstractInvestigationoftheassociationphenomenoninsolutionsystem，isalwaystheobjectchemistspayattentiontobecausetheconclusionassocia

2、tionphenomenaresultedfrommoleculesreciprocityallplayapivotalroleforchemicalorphysicalpropertiesofbothorganismsystemandabiologicalsystemThepaperstudiesthesystemN，NDimethylformamidewithalcoholusingspectroscopyandquauttmach

3、emistryWestudytheassociationmodelofthesystem，DMF，alcobol，usingIRspeetruinandNMR111efindingindicates：followingtheincreasebydegreesofalcoholmolefractionthehydrogenbondformedbYassociationbecomesofstrongerhydroxylprotonIRvib

4、rationalwavenumbershows‘‘blueshiftandthechemicalshiftsincreaseFaduallyWebringforwordtheconceptofexcessIRvibrationalwavenumberonthebasisofexvesschemicalshift，andfindwhenthehighestexcesschemicalshiftappearswiththehightesto

5、fexcessIRvibrationalwavenumberindicatingthatbothofthemarewellinagreementAdoptingquantumchemistrycomputationalmethodswecomputethebindingenergyoftheassociationandIRvibrationalwavenumberbetweendifferentnumberofmethanolmolec

6、ulesandsingleDMFmoleculeAsaresulLmethanoImoleculesfirstassociatewithacarbonyl，thentheunassociatedmethanolmolecules伽selfassociatewiththeassociatedmethanolmoleculesAlongwithDMFconcentrationincreasing，thecarbonylsthatassoci

7、atedifferentnumbersmethanolmoleculesIRvibrationalwavenumberalSOincreaso，appearredshifLwhichisingoodagreementwithexperimentresultTheirbondlengthincreasegraduallywhichshowstheformedhydrogenbondweakerandweakerKeywords；DMFal