Bulletin of the American Physical Society
APS March Meeting 2018
Volume 63, Number 1
Monday–Friday, March 5–9, 2018; Los Angeles, California
Session F41: Division of Chemical Physics Prize SessionFocus Prize/Award
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Sponsoring Units: DCP Chair: Timothy Zwier, Purdue Univ Room: LACC 502A |
Tuesday, March 6, 2018 11:15AM - 11:51AM |
F41.00001: Earle K. Plyler Prize for Molecular Spectroscopy & Dynamics Talk: Two-Dimensional Femtosecond Spectroscopy Invited Speaker: David Jonas In 1976, Ernst demonstrated Two-Dimensional Fourier transform (2D FT) spectra in Nuclear Magnetic Resonance (NMR). 2D FT NMR is now routinely used in medical imaging and the determination of biomolecule structures in solution. In 1998, my group demonstrated the first optical analogs of 2D FT NMR spectra. These 2D FT electronic spectra were recorded by using femtosecond lasers and exploiting nonlinear optical phase matching, a phenomenon with no analog in NMR. Using the same technique, 2D FT infrared vibrational spectra followed two years later. It is well known that femtosecond pulses can be used to time resolve vibrations in molecules and phonons in solids. Femtosecond 2D FT spectra spread these signals out over two frequency dimensions. The femtosecond time resolution of 2D FT spectra “freezes” such vibrational motion and can also |
Tuesday, March 6, 2018 11:51AM - 12:27PM |
F41.00002: Justin Jankunas Doctoral Dissertation Award in Chemical Physics Talk: Slow photoelectron velocity-map imaging (SEVI) spectroscopy of cryo-cooled anions Invited Speaker: Marissa Weichman Slow photoelectron velocity-map imaging spectroscopy of cryogenically-cooled anions (cryo-SEVI) is a powerful technique for elucidating the vibrational and electronic structure of exotic neutral species. SEVI is a high-resolution variant of anion photoelectron imaging that yields spectra with energy resolution as high as 1 cm−1. The preparation of cold anions eliminates hot bands and narrows rotational envelopes, enabling the acquisition of well-resolved photoelectron spectra for complex and spectroscopically challenging species.1,2 |
Tuesday, March 6, 2018 12:27PM - 12:39PM |
F41.00003: Vibrational Characterization of a Ruthenium Water Oxidation Catalyst and Intermediates Erin Duffy, Jonathan Voss, Brett Marsh, Etienne Garand This work focuses on a well-known molecular water oxidation catalyst, [Ru(tpy)(bpy)(OH2)]2+, the simplest of a large family of ruthenium-based catalysts. Although there have been numerous chemical investigations of this catalyst and its many derivatives throughout the past decade, direct structural information and corresponding molecular level insight into its reactivity remained elusive. Presented here are infrared predissociation spectra of this catalyst and isolated intermediates of the proposed reaction pathway. With the aid of DFT calculations, previously proposed molecular structures are now strongly supported by spectroscopic evidence, and key intermolecular interactions that influence reactivity are probed. |
Tuesday, March 6, 2018 12:39PM - 12:51PM |
F41.00004: Lifting of Accidental Degeneracy in Molecular Vibrations Probed with Ultrahigh Vacuum Tip-Enhanced Raman Spectroscopy Naihao Chiang, Nan Jiang, Lindsey Madison, Eric Pozzi, Mark Ratner, Mark Hersam, Tamar Seideman, George Schatz, Richard Van Duyne Ultrahigh Vacuum Tip-enhanced Raman spectroscopy (UHV-TERS) combines the imaging capability of scanning probe microscopy (SPM) with the single-molecule chemical sensitivity of surface-enhanced Raman spectroscopy (SERS). In combination with time-dependent density functional theory (TDDFT), insights into the influence of intermolecular interactions on the vibrational spectra of a N-N'-bis(2,6-diisopropylphenyl)-perylene-3,4:9,10-bis(dicarboximide) (PDI) self-assembled monolayer is revealed. In particular, we have interrogated the lifting of an accidental vibrational degeneracy of a mode of PDI on Ag(111) and Ag(100) surfaces, with the most strongly perturbed mode being that associated with the largest vibrational amplitude on the periphery of the molecule. This work demonstrates that UHV-TERS enables direct measurement of molecule-molecule interaction at nanoscale. |
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