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CHEM 344 Fall 2010 Mass Spec Lec handout

CHEM 344 Fall 2010 Mass Spec Lec handout - CHEM 344 Organic...

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1 CHEM 344 Organic Chemistry Lab September 7 th 2010 Structural Determination of Organic Compounds Lecture 1 – Mass Spectrometry
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2 Structure Determination Connectivity/Mass Mass Spec X-ray diffraction NMR Detailed connectivity IR Functional groups UV-vis, Raman, EPR, ATM, STM Molecular Modeling Science , 2009, 325 , 1110 -1114. STM and AFM imaging of pentacene on Cu(111)
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3 AFM imaging of cephalandole A Nature Chem. August 2010 C 60 Buckminsterfullerene “Buckyball” Nature , 1985 , 318 , 162-163 Connectivity/Mass Mass Spec
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4 Mass Spectrometry Uses high energy electron beam (70 eV), sample in gas phase Gives info on molecular mass and formula of compound (m/z, isotopes) Gives info on connectivity of molecule (fragmentation pattern) Ionization energy for most organic molecules 8-15 eV Molecular Fragments Molecule Molecular Ion [M] .+ [M] .+ gives the mass (m) of the molecule Fragments give info on connectivity of the molecule
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5 32 31 29 15 [M] +. m/z = mass/charge ratio We will only consider singly charged species
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