An Analysis of Mass Spectral Isotope Patterns of Compounds 化合物的质谱同位素模式分析

2024-07-11 22:14:45  阅读 8 次 评论 0 条
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TheChlorineRule:AnAnalysisofIsotopePatternsofCompoundsContainingMultipleBromineandChlorineAtomsRayA.Gross,Jr.WithanIntroductiontotheIsotope-PatternAnalyzer1

MyReasonsforthisPresentationPresentresultsobtainedatPGCCShowthatcontentfoundintextbookscanbeimprovedMotivatestudents2

IsotopesofBrandClaLowmassbHighmassRatio(a/b)RoundedratioVariable#atomsBr79(50.69)81(49.31)1.0281:1mCl35(75.78)37(24.22)3.1293:1n3

MassSpectrometer4

Schematicdiagramofamassspectrometer5

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WhyBrandCl?Molecular-ionpeaksofC10H20Br1Cl1,C10H19Br2Cl1andC10H18Br3Cl1.8

Premise Inlieuofpatternmatching,itshouldbepossibletodeterminethenumberofBrandClatomsinamolecularformulaofacompoundbyanalyzingthemolecular-ioncluster(i.e.,byclusteranalysis).9

HerbertC.Brown

NobelLaureateHydroboration-oxidationwithBH3(CHM201)ReductionwithNaBH4(CHM202/204)10

LillianBerg

NVCC-Annandale11

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ChlorineConstant20

BromineConstantIM=3n21

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TheoreticalConsiderationsIdealCompounds Br(a:b)=1:1Cl(a:b)=3:113Cand2Hnegligible24

BromineBinomialRatio(a:b)=1:1(1a+1b)mforBrm(1a+1b)1=1a+1b=1:1(1a+1b)2=1a2+2ab+1b2=1:2:125

ChlorineBinomialRatio(a:b)=3:1(3a+1b)nforCln(3a+1b)1=3a+1b=3:1(3a+b)2=9a2+6ab+1b2=9:6:126

IdealModel=BinomialPair(1a+1b)m(3a+1b)nBr1Cl13a2+4ab+1b2=3:4:127

Results(1a+1b)m(3a+1b)n=1m3na(m+n)+….+1m1nb(m+n)I(L/R)=1m3n/1m1nIM=3n ChlorineRule:WhenIequals1,3,9,27or81;nis0,1,2,3,or4,respectively,wheren=numberofchlorineatoms. ThenumberofbromineatomsmequalsA–n..2004,81,1161-1168(articleavailableatfrontdesk)28

RoaldHoffmann-NobelLaureateConservationoforbitalsymmetry“Oxygen〞PriestleyvsSheeleHoffmannDjerassiWoodward29

GrossgivinglecturewithHoffmann,DjerassiandWoodwardlookingon.30

StructureBegetsPropertiesLet’sexaminestru



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