對稱性在結(jié)構(gòu)化學中的應(yīng)用.pdf

1、華中師范大學碩士學位論文對稱性在結(jié)構(gòu)化學中的應(yīng)用姓名：張淑曉申請學位級別：碩士專業(yè)：物理化學指導教師：王瓊林2000.11.1⑧碩士拳垃論文Ⅵ1qfip‘fF、I、AbstractInordertOmaketheoriticalandpracticalpreparationsforeditinganewtextbookofstructuralchemistry，thisthesismainlysumssomesymmetrytheori

2、esinstructuralchemistry，comparesdifferentcalculationapproaches，presentssomeviewsondisputablequestionsconcerningsymmetryandsomeshortcomingsintheineffecttextbooksandlinksmaincontents0fstructural’chemistryonthebaseofsymmetr

3、yprincivlesFirstly，asthethesiselucidates，thesymmetryofasystemresultsinconservationofitscorrespondingmechanicalparametersIftwomechanicalparametersofasystemcommutewitheachother，itisreasonabletOusecorrespondingquatumnumbers

4、tOsymbolizetheeigenstateofthesystemForexampleforH、L、L；andS。ofone—electronatomsystemarecommuting，then，n，1，mandmcanbeusedtOsignitseigenstateIfHofamolecularsystemalsocommutatewithsymmetryoperatorofitspointgroup，thenirreduci

5、blerepresentationscanmarkcanonicalmolecularorbitalsTherefore，symmetryisthebaseofthewholestructuralchemistrySecondly，thethesisspotlightsontherelationshipbetweensymmetryandselectionrules，advisesteacherstogivenecessaryexpla

6、nationforselectionrulestostudentsandpointoutshortcomingsinthepresenttextbooksthatdon’tlistoutanimportantrule，theLaporteselectionruleActually，thisrulemustbeobservedinbothL—Scouplingandj—jcouplingThirdlyonthebaseofgeometri

7、calsymmetryofmolecules，thethesisadoptsgrouptheorymethodtOdeterminehybridorbitals’typeandconstructwavefunctionsanddiscussessomeparameters’dynamiceffectonbondstrengthoforbitals，anglesbetweendifferentorbitalsaswellastransfo