Frontiers in Spectroscopy
Chemical Physics 8880.01 and 8808.02
Course Description: This course will provide
students with an overview of topics on the frontier of spectroscopic
research. It will exploit internationally renowned lecturers, as well
as outstanding OSU faculty, to cover topics ranging from very
fundamental to quite applied. General areas to be covered will include
fundamental characteristics of molecular quantum structure,
electromagnetics, new experimental techniques, remote sensing,
ultra-high sensitivity analytical techniques, astrophysical
applications, etc. It is planned that the course will be offered
multiple times, with topics and speakers varying with each
offering. The lecturers for the upcoming Winter quarter are listed
A feature of ChemPhys 8880 is a one hour "pre-lecture" discussion period led by an OSU faculty member. It is designed to help orient students to the readings, which they are expected to have read prior to the pre-lecture. Unless otherwise indicated, the pre-lecture will be held in 2136NW at 5:30pm on the Tuesdays of the weeks with lectures.
Each topic will be covered by lectures on Wednesday and Friday
mornings, 9:35-10:55AM, in MP2015.
Thursdays discussions (designed for students only) will begin at 9:35-10:55AM
on Thursdays in MP2017.
Prerequisites: a previous spectroscopy course
at OSU in Chemistry or Physics or prior permission of the
Required Text: None; suggested articles for
reading will be supplied prior to the lecture on a given topic.
All readings and lecture notes
kept current on Carmen. If you are enrolled for Frontiers this semester, you
have your normal student login and password. If you are an advisor or
post-doc and would like access to the readings and notes, email Becky
Gregory, firstname.lastname@example.org, and she will arrange for a login and
password for this site.
The text below is for 2016 - this will be updated as information becomes available
List of speakers and dates scheduled:
February 16 - 5:30pm-6:30pm in 2136 Newman-Wolfrom - Pre-Lecture discussion by Lou DiMauro
Readings for Linda Young lectures (access pdfs on Carmen):
1. Imaging Atomic Structure and Dynamics with Ultrafast X-ray Scattering, K. J. Gaffney and H. N. Chapman, Science, Vol. 316, 8 June 2007, pg 1444
2. X-ray FEL shines brightly, S. Jamison, Nature Photonics, Vol. 4, September 2010.
3. Beyond crystallography: Diffractive imaging using coherent x-ray light sources, J. Miao, T. Ishikawa, I. K. Robinson, M. M. Murnane, Science, 2015, 10.1126/science/aab0097
February 17-19 Linda Young, Argonne National Lab
- Lecture 1: The road to 3D atomic scale imaging with x-ray lasers
- Lecture 3: Molecular structural dynamics via ultrafast x-ray spectroscopies
February 23 - 5:30pm-6:30pm in 2136 Newman-Wolfrom - Pre-Lecture discussion by Dongping Zhong
Readings can be accessed on Carmen
1. Kohler, B., Nonradiative Decay Mechanisms in DNA Model Systems, invited Perspective article, J. Phys. Chem. Lett. 2010, 1, 2047-2053.
2. Zhang, Y.; Dood, J.; Beckstead, A. A.; Li, X.-B.; Nguyen, K. V.; Burrows, C. J.; Improta, R. Efficient UV-induced charge separation and recombination in an 8-oxoguanine-containing dinucleotide, Proc. Natl. Acad. Sci. USA 2014, 111, 11612-11617.
3. Kohler, B., Excited States of Single-Stranded DNA Revealed by Femtosecond Transient Absorption Spectroscopy, in Ultrafast Biomolecular Dynamics at the Nanoscale, Eds. S. Haacke and I. Burghardt, Pan Stanford Publishing, Pte. Ltd., Singapore, 2015, in press.
4. Zhang, Y.; de La Harpe, K.; Beckstead, A. A.; Improta, R.; Kohler, B. UV-induced Proton Transfer Between DNA Strands, J. Am. Chem. Soc. 2015, 137, 7059-7062.
February 24-26 Bern Kohler, Montana State University
- Lecture 1 Ultrafast spectroscopy of DNA excited states: Single nucleobases to single strands
This lecture will begin with the motivations behind the study of excited electronic states in DNA (biological photodamage, origins of life). I will present "everything a spectroscopist needs to know about DNA structure" illustrated with results from steady-state spectroscopies (fluorescence, circular dichroism) before exploring what femtosecond transient absorption and fluorescence up-conversion experiments reveal about excited states in single bases and DNA strands. Vibrational cooling, nonradiative decay via conical intersections, and the synergies between experimental and computational studies will also be discussed.
- Lecture 2
Student discussion possibly on technical aspects of condensed-phase femtosecond spectroscopy and principles behind the femtosecond transient absorption, fluorescence upconversion, femtosecond time-resolved IR (fs-TRIR), and time-correlated single-photon counting techniques. Additional topics could include target analysis of time- and wavelength-resolved data and the (often confusing) terms used to describe excited states of multichromophoric systems: exciton, exciplex, excimer, charge transfer state, electron-hole pair etc.
- Lecture 3 Electronic energy relaxation in the double helix, photoinduced proton-coupled electron transfer, and extensions to nanoscale systems
I will discuss the decades-old interest in the possibility of excited-state proton transfer in double-stranded DNA and the very recent observation of photoinduced proton-coupled electron transfer (PCET) in double helical oligonucleotides. Thermodynamics and kinetic aspects of photoinduced proton transfer will be introduced with some case studies of Bronsted and Lewis Photoacids. The use of time-resolved spectroscopy as an increasingly precise probe of conformational dynamics in nucleic acids and future opportunities for study using multidimensional electronic and vibrational spectroscopies will be touched on.
March 8 - 5:30pm-6:30pm in 2136 Newman-Wolfrom - Pre-Lecture discussion by Robert Baker
Readings can be accessed on Carmen
1. Real-time observation of valence electron motion, E. Goulielmakis, Z.-H. Loh, A. Wirth, R. Santra, N. Rohringer, V. S. Yakovlev, S. Zherebtsov, T. Pfeifer, A. M. Azzeer, M. F. Kling, S. R. Leone, F. Krausz, Nature Letters, Vol 466, 2010, doi:10.1038/nature09212.
2. Attosecond band-gap dyanmics in silicon, M. Schultze, K. Ramasesha, C. D. Pemmaraju, S. Z. Sato, D. Whitmore, A. Gandman, J. S. Press, L. J. Borja, D. Prendergast, K. Yabana, D. M. Neumark, S. R. Leone, Science, Vol. 346, 2014, pg 1348.
3. Probing ultrafast dynamics with attosecond transient absorption, A. R. Beck, D. M. Neumark, S. R. Leone, Chem. Phys. Lett. Vol. 624, 2015, pg. 119. dx.doi.org/10.1016/j.cplett.2014.12.048
March 9-11 Stephen Leone, University of California, Berkeley
- Lecture 1 Molecular Dynamics with Ultrafast X-rays
Molecular dynamics problems are addressed with novel tools of ultrafast x-ray spectroscopies, including charge migration in molecules, detection of states in transition state regions, and electronic and vibrational coherences. Such measurements push the boundaries of typical timescales of physical measurements down to few hundred attosecond durations. The transitions accessed by such ultrafast x-ray pulses are responsive to charge, chemical oxidation state, and electronic environment. An introduction to ultrafast x-ray and attosecond measurements is presented, with the goal to reveal atomic and molecular dynamics. Investigations involve explorations of dissociating molecules, detection of radicals, coherent electronic and vibrational wave packets in atoms and small molecules, the short timescales for the formation of ions, and charge migration in molecules.
- Lecture 2 The Nuts and Bolts of Attosecond Measurements
Attosecond pump-probe measurements require an intricate combination of ultrashort pulse laser technology, the production of high order harmonics to shift the driving laser into the extreme ultraviolet, gating methods to produce isolated attosecond pulses and methods to detect them, carrier envelope phase stabilization, and x-ray spectral resolution. Attosecond pulses themselves are often too weak to split into two for the pump and probe. Most experiments combine isolated attosecond pulses with few cycle pulses to make measurements. Problems abound in the time regime where attosecond pulses potentially overlap with the few cycle pulse, requiring possible corrections to extract the shortest possible time dynamics. The student discussion will consider the methods, strengths, and limitations of making attosecond measurements, as well as questions concerning what attosecond measurements really retrieve.
Lecture 3Attosecond Electron Processes in Solids
Problems of electronic dynamics in solid-state materials center around oxidation states, charge flow, localized excitations or band structures, band gap shifts, and phase changes of materials, such as insulator to metal transitions. X-ray spectroscopic probes afford a direct means to follow the charge flow across junctions, oxidation state changes, and the timescales for rapid alterations of band structure and resulting phase modifications. Measurements are discussed that reveal rapid band structures changes in semiconductors, observe simultaneously the holes in a valence band and electrons in a conduction band, provide direct probes and analysis of charge transfer, and detect phase changes, such as insulator to metal transitions, through x-ray femtosecond and attosecond spectroscopy.
March 22 - 5:30pm-6:30pm in 2136 Newman-Wolfrom - Pre-Lecture discussion by Jay Gupta
Readings can be accessed on Carmen
1. The Electronic Properties of Superatom States of Hollow Molecules, M. Feng, J. Zhao, T. Huang, X. Zhu, H. Petek, Accounts of Chemical Research, Vol. 44, 2011, pg. 360. 10.1021/ar1001445
2. A chemical and theoretical way to look at bonding on surfaces, R. Hoffmann, Rev. Mod. Phys., Vol. 60, 1988.
3. Transient excitons at metal surfaces, X. Cui, C. Wang, A. Argondizzo, S. Garrett-Roe, B. Gumhalter, H. Petek, Nature Physics Letters, 2014, doi: 10.1038/nphys2981.
March 23-25 Hrvoje Petek, University of Pittsburgh
I will convince you based on STM imaging and theory that C60 is a hydrogen atom in disguise, and demonstrate how we use STM imaging to visualize the fundamental concepts of molecular bonding from diatomic molecules to solid state materials. Next I will explain the fundamental interactions that enable C60 to appear as a hydrogen atom, and how these interactions explain aspects of the electronic structure of layered materials. Finally, I will finish by describing ultrafast time resolved photoemission experiments on graphite and silver to illustrate how we can probe and drive the hydrogenic excitations and potentially convert graphite into diamond on the femtosecond time scale.
April 5 - 5:30pm-6:30pm in 2136 Newman-Wolfrom - Pre-Lecture discussion by Sherwin Singer
Readings (access pdfs on Carmen)
1. Vibrational Spectroscopy a Probe of Structure and Dynamics in Liquid Water, H. J. Bakker, J. L. Skinner, Chem. Rev. Vol. 110, 2010, pg. 1498.
2. Development and Validation of Transferable Amide I Vibrational Frequency Maps for Peptides, L. Wang, C. T. Middleton, M. T. Zanni, J. L. Skinner, J. Phys. Chem., 2011, dx.doi.org/10.1021/jp200745r
3. Vibrational Spectroscopy of Water at Interfaces, J. L. Skinner, P. A. Pieniazek, S. M. Gruenbaum, Accounts of Chemical Research, Vol. 45, 2012, pg. 93. 10.1021/ar200122a
April 6-8 James Skinner University of Wisconsin
- Lecture 1: April 6 "Water structure, spectroscopy, and dynamics, and the mysteries of its condensed phases"
I will discuss methods for modeling condensed-phase water, for calculating spectroscopic observables (FTIR, 2DIR, SFG, 2DSFG, etc.), and will discuss results and comparison with experiments, for the bulk liquid, the liquid/vapor interface, ice Ih, amorphous ices, the water hexamer, water near ions, and water near lipid and surfactant interfaces.
- April 7 - Frontiers students
- Lecture 2: April 8 "Protein structure and vibrational spectroscopy"
I will discuss methods for calculating amide I vibrational spectroscopy of proteins, along with validation by several benchmark experiments. This will be followed by applications to anti-microbial peptides on membrane surfaces, the M2 proton channel of influenza A, the KcsA potassium channel, amylin fibrils in type II diabetes, and protein unfolding.
Grading: Satisfactory/Unsatisfactory options:
Class attendance and participation
Letter grade option: Class attendance and participation plus term paper
(Grades will be assigned solely by OSU faculty.)
(3 hours) Call number 25193 for ChemPhys 8880.01 (S/U option)
(3 hours) Call number 25194 for ChemPhys 8880.02 (graded option)
Physics 894 - 1998
Chemical Physics 894 - 1999
Chemical Physics 894 - 2000
Physics 880G20 - 2001
Physics 880G20 - 2002
Chemical Physics 894 - 2003
Chemical Physics 880 - 2004
Chemical Physics 880 -
Chemical Physics 880 -
2006 Chemical Physics 880 -
2007 Chemical Physics 880 -
2008 Chemical Physics 880 -
2010 Chemical Physics 880 -
2012 Chemical Physics 8880 -