Handout, Ionization Methods: From McLafferty, F. W.; Turecek, F. Interpretation of Mass Spectra, 4th ed. PDF.
Handout, ESI Review: Gabelica, V.; De Pauw, E. Internal energy and fragmentation of ions produced in electrospray molecules. Mass Spectrometry Reviews 2005, 24, 566-587. PDF.
Handout: MS of para-dibromobenzene.
Handouts, MS Studies related to Insulin: Biotechnology, Disaggregation, and Insulin Receptor Studies.
Fragmentation of Phenol: How to eliminate CO.
Ethene: log file and formatted checkpoint.
Butadiene: log file and formatted checkpoint.
Hexatriene: log file and formatted checkpoint.
Benzene: log file and formatted checkpoint.
A tutorial on the excitation of dimethylaminobenzonitrile (DMABN).
DMABN Files: MP2/6-31G* Optimization, formatted checkpoint file, and TD-B3LYP/6-31G* Excited States Calculation.
Reichardt's review of Solvent Effects.
Visit the SDBS Spectral Database and do the following:
- effects of field strength on spectrum, e.g. 90 vs 400 MHz
- use the "show peaks" feature
- determine J-values from the frequencies given (relative to TMS)
DEPT and APT of Codeine.
Use ChemDraw to get estimates of 1H- and 13C-NMR chemical shifts.
N-NMR Data from Webelements.
NMR Simulator for the PC and for free. (Takes less than 2 minutes to download & install.)
Infrared & Raman Spectroscopy
For vibration animations with GaussView: Methane, Ethane, and Buta-1,2-diene (a cumulene).
Animations of vibrations in complex molecules (research @ MU): Helicene Modes & Fasicularin Transition Vectors.
Liquid film spectra of methanol and ethanol.
Reviews on IR Spectroscopy of Organometallics.