Chemical Physics, Gas Hydrate Clathrates, van der Waals Clusters
Sigma Xi Undergraduate Research Award
National Science Foundation Predoctoral & Postdoctoral Fellow
Alfred P. Sloan Fellow
Camille and Henry Dreyfus Foundation Teacher-Scholar
Fellow of the American Physical Society
Research Associate, The University of Chicago 1977-1978
Visiting Professor, Université de Paris-Sud, 1986
Visiting Professor, Université Paul Sabatier, 1996
For almost 40 years my passion was studying intermolecular forces and dynamics via a combination of molecular beam spectroscopy and quantum mechanical theory. When I started, theory was not yet able to predict where an Ar atom would stick onto a chorine molecule. We were able to measure that there was a “T-shaped” structure (Ar attached to the side) for this dimer by 1987. It turns out there is also a linear isomer, predicted by modern QM calculations but yet to be directly observed. We have observed both isomers of ArBr2, and others have observed both isomers of a variety of other noble gas-halogen species.
Recently, my research emphasis has shifted to the study gas clathrate-hydrate solid solutions. Gas hydrates consist of a reconstructed ice lattice that forms cages that can trap gas molecules. They were first discovered 200 years ago, but are receiving renewed attention due to huge deposits of methane hydrate in permafrost and marine sediments. We are interested in them because they are stabilized mostly by van der Waals forces, and yet exist above the melting point of ice.
Current projects include formation kinetics studies aimed at producing large amonts of hydrates in short times and NMR studies of the water molecules and guest dynamics as a function of temperature. Now that I am Dean of the School of Physical Sciences, I am no longer the primary advisor to either graduate students or postdoctoral fellows. However, I am always interested in collaborative projects with other faculty members in my general field of expertise.
Prediction of Clathrate Structure Type and Guest Position by Molecular Mechanics, E. B Fleischer and K. C. Janda, J. Phys. Chem. A, 117, 4001-4010, 2013
Ice Particle Size and Temperature Dependence of the Kinetics of Propane Clathrate Hydrate Formation, Joel Jimenez Rivera and Kenneth C. Janda, J. Phys. Chem. C, 116, 19062-19072, 2012.
Large Shift and Small Broadening of Br2 Valence Band upon Dimer Formations with H2O: An ab initio study, R. Franklin-Mergarejo, J Rubayo-Soneira, N. Halberstadt, Tahra Ayed, M. I. Bernal, R. Hernandez Lamoneda and K. C. Janda, J. Phys. Chem. A, 115, 5993-5991, 2011.
A theoretical study on electronic predissociation in the NeBr2 van der Waals molecule, Ramon Hernandez-Lamoneda; Cristina Sanz-Sanz; Octavio Roncero, Kenneth C. Janda; et al. Chemical Physics, 399, 4-16 (May 3, 2012).
Real-time dissociation dynamics of Ne2Br2 van der Waals complex. Jordan M. Pio, Molly A. Taylor, Wytze E. van der Veer, Kenneth C. Janda, Journal of Chemical Physics, 133 (1), 014305 (2010).
"On the Unusual Properties of Halogen Bonds: A Detailed ab Initio Study of X-2-(H2O) (1-5) clusters(X = Cl and Br)," Bernal-Uruchurtu MI, Hernandez-Lamoneda R, Janda KC, Journal of Physical Chemistry A, 2009, Vol 113, 19:5496-5505 (May 14).
"Propane Clathrate Hydrate Formation Accelerated by Xenon," Abbondondola JA, Fleischer EB, Janda KC, Journal of Physical Chemistry C, 2009, Vol 113, 11:4717-4720 (Mar 19).
"Dynamical interrogation of the hydration cage of bromine in single crystal clathrate hydrates versus water," I. U. Goldschleger, G. Kerenskaya, V. Senekerimyan, K. C. Janda and V. A. Apkarian, Physical Chemistry Chemical Physics, 2008, 48:7189.
"Product state resolved excitation spectroscopy of He-, Ne- and Ar-Br2 linear isomers: Experiment and theory," Jordan Pio,Wytze E. van der Veer, Craig R. Bieler, and Kenneth C. Janda, Journal of Chemical Physics, 2008, 128:134311.
"Two Dimensional H2O-Cl2 and H2O-Br2 potential surfaces: an ab initio study of ground and valence excited electronic states," Ramón Hernández-Lamoneda, Victor Hugo Uc Rosas, Margarita I. Bernal Uruchurtu, Nadine Halberstadt, and Kenneth C. Janda, Journal of Physical Chemistry A, 2008, 112:89-96.
"Polymorphism in Br2 clathrate hydrates," I. Goldschleger, G. Kerenskaya, K. C. Janda, and V. A. Apkarian, Journal of Physical Chemistry A, 2008, 112:787-789.
"Structure and stability of Ne+Hen: experiment and diffusion quantum Monte Carlo theory with “on the fly” electronic structure," Carrie A. Brindle, Melissa R. Prado, Kenneth C. Janda, Nadine Halberstadt and Marius Lewerenz, J. Chem. Phys., 2005, 123, Art. No. 064312.
"Transition from Hydrogen Bonding to Ionization in (HCl)n(NH3)n and (HCl)n(H2O)n Clusters: Consequences for Anharmonic Vibrational Spectroscopy." Chaban G. M., Gerber R. B., Janda K. C. J. Phys. Chem., 2001, 105: 8323-8332.
"Structure and spectroscopy of the He2Cl2 van der Waals cluster," Marta I. Hernández, Nadine Halberstadt, William D. Sands and Kenneth C. Janda, J. Chem. Phys. 2000, 113, 7252-7267.
"The Dynamics of Noble-Gas Halogen Molecules and Clusters," Andreas Rohrbacher, Nadine Halberstadt and Kenneth C. Janda, Ann. Rev. Phys. Chem. 2000, 51, 405-33.
"Charge Transfer and Fragmentation of Liquid Helium Droplets doped with Xenon," Thomas Ruchti, Berton E. Callicoatt and Kenneth C. Janda, Physical Chemistry Chemical Physics 2000, 2:4075-4080.
"Measurement of the electronic wave function: Separated atom wave function analysis of the R-dependent hyperfine constants of the iodine monochloride A state," William S. Barney, Colin M. Western and Kenneth C. Janda, J. Chem. Phys. 2000, 113:7211-7223.