个人简介

Professor McCoy received her B. S. degree in Chemistry from Haverford College in 1987, her Ph. D. degree in Chemistry from the University of Wisconsin-Madison in 1992 and was a Golda Meir post-doctoral fellow with Benny Gerber at the Hebrew University and University of California, Irvine. She joined faculty at the Ohio State University in 1994. She was promoted in 2000 to Associate Professor and again in 2004 to Professor. Professor McCoy has received a CAREER award from the National Science Foundation, the 1998 Ernst D. Bergmann Memorial Award from the US/Israel Binational Science Foundation, was named a Camille Dreyfus Teacher/Scholar in 1999, was recognized as an Outstanding Woman in Science by AWISCO in 2005 and gave the Crano Memorial Lecture for the Akron Section of the ACS in 2011. Profesor McCoy is a fellow of the American Physical Society (2007), the American Chemical Society (2009) and the AAAS (2011). She is also the Deputy Editor for the Journal of Physical Chemistry A and the Chair of the American Chemical Society’s Committee on Professional Training.

研究领域

Physical/Theoretical/Chemical Physics

Theoretical Chemistry, Reaction Dynamics, Chemistry in Clusters My group’s research focuses on two interrelated areas of investigation. The first involves the development of theoretical and computational approaches for studying energy flow in chemical systems. We generally focus on systems that have been studied or are currently being studied by our experimental collaborators, or that are potential targets for future experimental investigation. The second involves detailed studies of the targeted systems. These two focuses are clearly interconnected, and often in an effort to elucidate properties of a particular system or process, we find that we need to develop the theoretical and computational tools to perform the study. More specifically, our research involves studies of energy flow, as probed through spectroscopy and dynamics studies, of molecules, molecular ions, and complexes comprised of small molecules or ions and one or several solvating molecules. These gas phase systems are of interest for several reasons. First, as indicated above, they are systems for which we can make direct connections with experimental studies that are being undertaken by our current and potential future collaborators. A second source of our interest in these small systems comes from the fact that their size makes them amenable to very detailed experimental and theoretical studies. In this way they provide a laboratory through which we can probe fundamental physical phenomena. They also allow us to ask detailed questions relating to atmospheric and combustion chemistry. From a purely theoretical prospective, these processes and systems are of particular interest to us because the experimental findings could not be fully interpreted using the computational chemistry tools that are readily available to the chemistry community – specifically running an electronic structure calculation using a commercially available computer program with the appropriate inputs for calculating the vibrational spectrum. As a result, a central goal of my research program has been and continues to be in generating the tools needed to elucidate the experimental signatures of large-amplitude motions. Recent examples: A study that probed solvent-induced long-range electron transfer in IBr-(CO2), a general phenomena, but one which could be more deeply investigated through studies of this five atom system. A series of studies that focused on connection between hydrogen bond strength, proton transfer, and vibrational spectroscopy of the fluoride-water complex and protonated water clusters. Developments of and extensions to Diffusion Monte Carlo approaches for studying molecular vibrations and rotations. On-going investigations: Developing the tools necessary to evaluate anharmonic vibrational frequencies “on the fly” using electronic structure theory. Developing quantum/classical approaches to further elucidate the mechanisms of long-range electron transfer. Investigations of the connections between vibrational spectra and molecular vibrations in systems that undergo large amplitude motions, in particular, in ion-water complexes. This work focuses on systems that are important to atmospheric processes. Further developments in Quantum Monte Carlo approaches and their applications. Current Employment of Recent Graduates: Ph. D. students: Assistant Professor of Chemistry, University of North Carolina, Wilmingon; Assistant Professor of Chemistry, Universidad de Antioquia; visiting Assistant Professor, Muskingum University Post-doctoral researchers: Associate Professor, Southern Illinois University; Computer programmer in the aviation industry Undergraduate summer research students: Assistant Professor of Chemistry, University of Northern Florida; Assistant Professor of Chemistry, Ohio State; Post-doctoral researcher, Penn State; Graduate student, Georgia Tech Anne McCoy will be accepting new graduate students, undergraduate students, and/or post-doctoral researchers into her group and welcomes inquiries regarding openings.

近期论文

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Joseph A. Fournier, Conrad T. Wolke, Christopher J. Johnson, Anne B. McCoy and Mark A. Johnson, "Comparison of the local binding motifs in the imidazolium-based ionic liquids [EMIM][BF4] and [EMMIM][BF4] through cryogenic ion vibrational predissociation spectroscopy: Unraveling the roles of anharmonicity and intermolecular interactions," in preparation, submitted to J. Chem. Phys. Dec 3, 2014; revision submitted Jan 13, 2015; accepted Jan 16, 2015. Fang Liu, Joseph M. Beames, Andrew S. Petit, Anne B. McCoy and Marsha I. Lester, "Infrared driven unimolecular reaction of CH3CHOO Criegee intermediates to OH radical products," Science, 345, 1596-1598 (2014). Nadja Heine, Eric G. Kratz, Risshu Bergmann, Daniel P. Schofield, Knut R. Asmis, Kenneth D. Jordan and Anne B. McCoy, "Vibrational Spectroscopy of the Water-Nitrate Complex in the OH Stretching Region," J. Phys. Chem. A, 118, 8188–8197 (2014) [ Castleman Festschrift]. Christopher J. Johnson, Laura C. Dzugan, Arron B. Wolk, Christopher M. Leavitt, Joseph A. Fournier, Anne B. McCoy and Mark A. Johnson, "Microhydration of Contact Ion Pairs in M2+OH–∙(H2O)n=1-5 (M=Mg, Ca) Clusters: Spectral Manifestations of a Mobile Proton Defect in the First Hydration Shell," J. Phys. Chem. A, 118, 7590-7597 (2014) [ D. Jordan Festschrift]. Andrew S. Petit, Jason E. Ford and Anne B. McCoy, "Simultaneous Evaluation of Multiple Rotationally Excited States of H3+, H3O+ and CH5+ Using Diffusion Monte Carlo," J. Phys. Chem. A, 118, 7206-7220 (2014) [ D. Jordan Festschrift]. Bernice Opoku-Agyeman, Amanda S. Case, Julia Lehman, W. Carl Lineberger and Anne B. McCoy, "Nonadiabatic photofragmentation dynamics of BrCN–," Chem. Phys., 141, 084305 (2014). Anne B. McCoy, "The role of electrical anharmonicity in the association band in the water spectrum," J. Phys. B, 118, 8286–8294 (2014) [ L. Skinner Festschrift]. Zhou Lin and Anne B. McCoy, "The role of large-amplitude motions in H5+ in the H3+ + H2 reaction," J. Chem. Phys, 140, 114305, (2014). Amanda S. Case, Anne B. McCoy and W. Carl Lineberger, "Dynamics of Small, Ultraviolet-excited ICN- Cluster Anions," J. Phys. Chem. A, 117, 13310-13318 (2013) [ A. Miller Festschrift]. Zhou Lin and Anne B. McCoy, "Investigation of the Structure and Spectroscopy of H5+ Using Diffusion Monte Carlo," J. Phys. Chem. A, 117, 11725-11736 (2013) [Wittig Festschrift]. Christopher M. Leavitt, Andrew F. DeBalse, Michael van Stipdonk, Anne B. McCoy and Mark A. Johnson, "Hiding in plain sight: Unmasking the diffuse spectral signatures of the protonated N-terminus in simple peptides," J. Phys. Chem. Letters, 4, 3450–3457, (2013). Matthew K. Sprague, Laura A. Mertens, Heather N. Widgren, Mitchio Okumura, Stanley P. Sander and Anne B. McCoy, "Cavity Ringdown Spectroscopy of the Hydroxy-Methyl-Peroxy Radical," J. Phys. Chem. A 117, 10006-10017 (2013) [Oka Festschrift]. Andrew S. Petit and Anne B. McCoy, "Diffusion Monte Carlo in internal coordinates," J. Phys. Chem. A 117, 7009-7018 (2013) [Bowman Festschrift]. Joshua P. Martin, Amanda S. Case, Quanli Gu, Joshua P. Darr, Anne B. McCoy, and W. Carl Lineberger, "Photofragmentation dynamics of ICN-(CO2)n clusters following visible excitation," J. Chem. Phys. 139, 064315/1-10 (2013). Andrew F. DeBlase, Steven Bloom, Thomas Lectka, Kenneth D. Jordan, Anne B. McCoy, and Mark Johnson, "Origin of the diffuse vibrational signature of a cyclic intramolecular proton bond: anharmonic analysis of protonated 1,8-disubstituted naphthalene ions," J. Chem. Phys., 139, 024301/1-9, (2013). Benjamin J. Knurr, Anne B. McCoy and J. Mathias Weber, "Vibrationally induced charge transfer in a bimolecular model complex in Vacuo," J. Chem. Phys., 138, 224301/1-6, (2013). Anne B. McCoy and Ron W. Darbeau, "Revision of the ACS Guidelines for Bachelor’s Degree Programs," J. Chem. Educ., 90, 398-400 (2013). Anne B. McCoy, "Potential energy surfaces and properties of ICN and ICN-," International Journal of Quantum Chemistry, 113, 366-374 (2013). Andrew S. Petit, Bethany A. Wellen and Anne B. McCoy, "Using fixed-node diffusion Monte Carlo to investigate the effects of rotation-vibration coupling in highly fluxional asymmetric top molecules: Application to H2D+," J. Chem. Phys., 138, 013105/1-11 (2013). Zhou Lin and Anne B. McCoy, "Signatures of large amplitude vibrations in the spectra of H5+ and D5+," J. Phys. Chem. Letters, 3, 6390-6396 (2012).