Mark Maroncelli

Mark Maroncelli

Main Content

  • Distinguished Professor of Chemistry
  • Associate Head for Undergraduate Education
408 Chemistry Building
University Park, PA 16802
(814) 865-0898


  1. B.A., Williams College, 1979
  2. Ph.D., University of California, Berkeley, 1984

Selected Publications:

Christopher A. Rumble, Anne Kaintz, Sharad K. Yadav, Brian Conway, Juan C. Araque, Gary A. Baker, Claudio Margulis, and Mark Maroncelli, “Rotational Dynamics in Ionic Liquids from NMR Relaxation Experiments and Simulations: Benzene and 1-Ethyl-3-Methylimidazolium,” J. Phys. Chem. B 120, 9450-9467 (2016). DOI: 10.1021/acs.jpcb.6b06715

Anne Kaintz, Gary Baker, Alan Benesi, and Mark Maroncelli, “Solute Diffusion in Ionic Liquids, NMR Measurements and Comparisons to Conventional Solvents,” J. Phys. Chem. B 117, 11697–11708 (2013).  DOI: 10.1021/jp405393d

Xin-Xing Zhang, Min Liang, Nikolaus P. Ernsting, and Mark Maroncelli, “Conductivity and Solvation Dynamics in Ionic Liquids,” J. Phys. Chem. Lett. 4, 1205-1210 (2013).  DOI: 10.1021/jz400359r

Xin-Xing Zhang, Min Liang, Nikolaus P. Ernsting, Mark Maroncelli, “The Complete Solvation Response of Coumarin 153 in Ionic Liquids,” J. Phys. Chem. B 117, 4291-4304 (2013).  DOI: 10.1021/jp305430a

Min Liang, Anne Kaintz, Gary Baker, and Mark Maroncelli, “Bimolecular Electron Transfer in Ionic Liquids:  Are Rates Anomalously High?,” J. Phys. Chem. B 116, 1370-1384 (2012).  DOI: 10.1021/jp210892c

Durba Roy and Mark Maroncelli, “Solvation and Solvation Dynamics in an Idealized Ionic Liquid Model,” J. Phys. Chem. B 116, 5951-5970 (2012).  DOI: 10.1021/jp301359w

Hui Jin, Min Liang, Sergei Arshantsev, Xiang Li, and Mark Maroncelli, “Photophysical Characterization of Benzylidene Malononitriles as Probes of Solvent Friction,” J. Phys. Chem. B. 114, 7565-7578 (2010).  DOI: 10.1021/jp100908a


Research in the Maroncelli group focuses on studies designed to help build a fundamental understanding of solvation and how it affects chemical reactions taking place in solution. In contrast to reactions in the gas phase, even nominally unimolecular reactions actually involve interactions with tens to hundreds of solvent molecules. The disorder inherent to the liquid state and the rapidity of the relevant dynamics makes it difficult to describe the effect of these myriad interactions in a simple and accurate way.

Our group employs ultrafast spectroscopic techniques in combination with modern computational chemistry methods to help develop a molecular-level understanding of equilibrium and non-equilibrium solvation and its influence over chemistry in solution.  Experimental methods include steady-state electronic spectroscopy, ps and fs fluorescence methods, and dynamic NMR measurements. Molecular dynamics simulations and electronic structure methods provide the primary means of interpreting experimental observations. Our recent work has focused on elucidating the nature of solvation in unconventional solvents such as supercritical fluids, gas-expanded liquids, and most recently ionic liquids. In these as well as in conventional solvents, prototypical reactions involving isomerization, electron transfer, and proton transfer are studied in order to test and develop our understanding of solvent - reaction coupling.

Research Interests:

Computational / Theoretical

Chemical dynamics in solution


Chemical dynamics in solution



Chemistry Undergraduate Academic Advisors
Undergraduate Program
Associate Head for Undergraduate Education in Chemistry