Chemistry @ IU

Contact Information:

(812) 856-1190
cjarrold@indiana.edu
Chemistry C229B
C. Jarrold Group Website

Caroline Chick Jarrold received her B.S. in Chemistry at the University of Michigan, Ann Arbor, in 1989, and her Ph.D. in Physical Chemistry from the University of California, Berkeley, in 1994. After being a University of California President’s Postdoctoral Fellow at UCLA, she joined the Chemistry faculty at the University of Illinois, Chicago in 1997, and was there until her move to the Indiana University Chemistry Department in 2002.

Professor Jarrold’s research involves applying a combination of gas-phase reactivity, mass spectrometry, anion photodetachment spectroscopies, and computational chemistry toward issues of importance in energy and environment.

Research

Research in the CC Jarrold group involves the application of gas-phase reactivity, mass spectrometry, anion photodetachment spectroscopies and density functional theory calculations to a wide range of chemically interesting systems. All of these projects start with negative ions. Initiating studies with anions has numerous advantages. First, these systems are inherently mass selectable, thereby eliminating any ambiguity regarding species identification. Second, depending on the system, the anions' "excess" electron is generally located in places that are sensitive to how the constituent atoms are bound, or even the dipole moment of the resulting neutral. So by detaching the electron from the anion, we learn about the properties of the associated neutral. Density functional theory calculations provide an invaluable tool for the analysis of the spectra of complicated systems. Using this combination of tools, we extract detailed information regarding the structure, chemical and electronic properties of this broad range of systems. Several ongoing projects include the following:

1. Heterogeneous catalysts

Transition metal oxide particles are broadly used in a range of heterogeneous catalytic applications. Techniques that corrupt the crystal structure of the metal oxides, such as sintering and doping, are commonly used to improve the catalyst performance. However, crystal corruption results in both active and inactive sites, and very little is understood about what local electronic and structural effects lead to catalytic activity. Optimization of catalytic systems therefore tends to be somewhat arbitrary. Our extensive studies on a variety of pure and binary metal sub-oxide clusters allow us to control the electronic and structural environment of metal oxide species. The combination of structural determination from spectroscopy and calculations along with reactivity studies allow us to draw conclusions about optimal oxidation states, impact of proximal dopant atoms, charge and spin state.

2. Tandem photoelectrochemical cells for the solar energy-driven cleavage of water

Use of H₂ as an alternative fuel is only sensible if renewable energy sources are used to produce it. Our studies on transition metal oxides clusters will be extended to include materials that have been suggested for use in the photolysis of water using tandem photoelectrochemical cells, such as tungsten trioxide and titanium dioxide. Preliminary results have shown very specific WO3-water interactions resulting in H₂ evolution. Subsequent binary W-Ti oxide clusters will be the focus of reactivity studies along with two-photon dissociation/detachment studies done to map out the “photo?” portion of the photoelectrochemical process.

3. Measuring the dipole moment of -helices

Using similar techniques to those described above, "soft" cluster complexes of atmospheric relevance can be studied spectroscopically. Of particular interest are systems leading to oxidation of VOCs such as ethanol, isoprene, and aromatic molecules.

Publications

PubMed

For a complete list of publications, see: http://mypage.iu.edu/~cjarrold/Publications.htm

Awards

• President's Postdoctoral Fellow, University of California, Los Angeles
• Army Research Office Young Investigator Program Award
• NSF CAREER Award

Highlights