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1、分子光谱基础（Fundamentalsofmolecularspectroscopy）Chapter1molecularspectroscopybasisIthaslongbeenknownthatthespecialcolorofmattercanbeusedtodeterminethecontentofmatter,whichisthebasisofcolorimetricanalysis.Inquantummechanics,afterthebirthofpeopletounderstandtheinteractionbetwee
2、nlightandmatterareleap,spectraltechniquehasbeengreatlydevelopedinthequalitativeandquantitativeanalysis,alsobecameoneofthemaintoolsforunderstandingthematerialstructureinformation.Thischaptermainlyintroducesthetheoreticalbasisofmolecularspectroscopy.Absorptionandemissionof
3、lightorscatteringmaterial,itsessenceistheinteractionbetweenlightandmaterialmolecularevolution,relationshipbetweenmaterialabsorption,emissionorscatteringlightintensityonthefrequencymappingform,ismolecularspectroscopy.Accordingtothewavelengthrangeandtheactionformofthelight
4、radiation,themolecularspectrumincludesultravioletvisiblespectrum,infraredspectrum,absorptionspectrum,fluorescencespectrumandRamanspectrum.Differentspectracanprovideinformationofdifferentmovementsinthematerialmolecules,andthestructureofmatterisunderstoodbymolecularspectro
5、scopy,whichisthepurposeofstudyingmolecularspectra.Thestructureandsymmetryof1.1polyatomicmoleculesThebasicprincipleofquantummechanicstellsusthatanyinformationaboutthemolecularsystemcanbeobtainedaslongasthewavefunctionofthemolecularsystemisknown.AlthoughXueDingewriteamolec
6、ule(Schr?Dinger)equationisnotdifficult,buttobeabletomicrosystemaccuratesolutionisveryfew,mostofthemolecularsystemSchrodingerequationdependsontheapproximationmethod.Therefore,itisverynecessarytosimplifythecomplicatedquantumchemicalcalculationprocessbyusingsomespecialprope
7、rtiesofmolecules.Amongthem,thesymmetryofmoleculesisoneofthemostimportantpropertiesforuse.Hereisabriefintroductiontosomeofthebasicknowledgeofmolecularsymmetryanditsmathematicalrepresentation,andtherelateddetailscanbereferredtotherelevantreferencebooks.1.1.1symmetricelemen
8、tsandsymmetricoperationsObviously,moleculessuchasbenzene,methaneandammoniahavesymmetry,buthowtoquantita
