Research

The Wenthold Group investigates the reactivity, energetics, and structures of ions and neutral reactive intermediates using mass spectrometry.

We are interested in all types of systems, including organic and inorganic molecules.

New instruments and development of ESI instrumentation will allow us to study biomolecules as well.

For an overview of the intstruments in the Wenthold lab, click here.

Biomolecules

How does solvation effect the structure of amino acids?
How many solvent molecules does it take to change the structure?

Physical Chemistry of Pyridines

ΔH_f(pyridyne) = BDE(C-Cl) + ΔH_acid(chloropyridine) + ΔH_f(chloropyridine) + ΔH_f(HCl) - ΔH_acid(HCl)

Pyridyne N-Oxides
How do the nonbonding electrons effect on pyridyne π-bonds?
How would introduction of N-oxide effect pyridyne stabilities?

Relative Energies of benzene, pyridine, and pyridine N-oxides

Triradicals

Types of triradicals studied in the Wenthold Group

Lardin, H. A.; Nash, J. J.; Wenthold, P. G. J. Am. Chem. Soc. 2002, 124, 12612.

Hammad, L. A.; Wenthold, P. G. J. Am. Chem. Soc. 2001, 123, 12311.

Experimental and theoretical studies carried out at Purdue University and the University of Southern California find that the 5-dehydro-m-xylylene (DMX) triradical has an “open-shell doublet” ground state, consisting of three unpaired electrons that are antiferromagnetically (low-spin) coupled. This electron arrangement is contrary to what is expected by Hund’s Rule, and is unprecedented for a ground state hydrocarbon.

Slipchenko, L.V.; Munsch, T. E.; Wenthold, P. G.; Krylov, A. I. Angew. Chem. Int. Ed. 2004, 43, 742.

Topological Control of Electronic Spin States in TME Analogs

Electronic Structure of Substituted Phenyl Nitrenes

We can selectively stabilize the ¹σ² state by adding strong π-donors in the para-position.

Using characteristic reactivity we can determine molecular and electronic structure!