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SOLVING COMBINED SPECTROSCOPY PROBLEMS: Lecture Supplement: page 50-53 in Thinkbook CFQ’s and PP’s: page 216 – 241 in Thinkbook Introduction: The structure of an unknown molecule can be determined using three methods, which each reveal different aspects of the whole: o Mass Spectrometry indicates formula (by varying the magnetic field to manipulate the flight path of ions and plotting the number of ions recorded) o Infrared (IR) Spectroscopy indicates presence/absence of functional groups (using the principle that similar functional groups absorb photons of similar energies) o Nuclear Magnetic Resonance (NMR) Spectroscopy indicates how atoms are attached to give the “structural skeleton” (by using differences in nuclear spin flip energies) Procedure: Note: On the majority of practice problems, the given information will not be presented in a way that is easy to read; it will just be listed. So to help solve the problem, it’s always a good idea to organize the data in a table or some other form that makes it easy to understand. 1. Mass Spectrometry: The first set of data that should be analyzed is the Mass Spectrometry. This process will yield the formula for the molecule. Molecular Ion: m/z: Relative Intensity: M mass of M 100% *M should always be set to 100% M+1 mass of M+1 relative intensity of M+1 M+2 mass of M+2 relative intensity of M+2 o *M should always be set to 100% relative intensity. If it is anything other than 100%, you must set it to 100% and scale the M+1 and M+2 peaks by the same factor. For example: (Example is from page 50 of the Thinkbook) Molecular Ion: M M+1 M+2
