對(duì)稱性在結(jié)構(gòu)化學(xué)中的應(yīng)用.pdf

1、華中師范大學(xué)碩士學(xué)位論文對(duì)稱性在結(jié)構(gòu)化學(xué)中的應(yīng)用姓名：張淑曉申請(qǐng)學(xué)位級(jí)別：碩士專業(yè)：物理化學(xué)指導(dǎo)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