Schedule

Sunday, June 10th, 2018

6:00 pm                                Dinner

PCET in Oxidation Chemistry

Discussion Leader: Jeffery Warren (Simon Fraser University, North America)

7:30 pm – 7:45 pm          Welcoming Remarks

7:45 pm –  8:10 pm         Miguel Costas (Universitat de Girona, Europe)

“Selective aliphatic C-H oxidation reactions guided by medium effects and metal catalysts”

8:10 pm – 8:20 pm          Discussion

8:20 pm – 8:45 pm          William B. Tolman (Washington University, St. Louis, North America)

“Mechanistic Studies of Reactions of Formally Cu(III) Complexes with C-H and O-H Bonds”

8:45 pm – 8:55 pm          Discussion

9:00 pm                                Welcome Reception

 

Monday, June 11th, 2018

7:30 am                                 Breakfast

PCET in Energy Catalysis I

Discussion Leader: Sara Thoi (Johns Hopkins University, North America)

9:00 am – 9:25 am          Andrew Peterson (Brown University, North America)

“Atomistic Simulation of Potential-Dependent Transition States”

9:25 am – 9:35 am          Discussion

9:35 am – 10:00 am        Antoni Llobet (Institut Català d’Investigació Química, Europe)

“Key aspects for the design of robust and efficient molecular water oxidation catalysts”

10:00 am – 10:10 am     Discussion

10:10 am – 10:25 am     Tianfei Liu (Uppsala University, Europe)

“The Role of Pendant Proton Relays on Proton-Coupled Electron Transfer Reactions of Catalyst Modelling Metal Hydrides”

10:25 am – 10:30 am     Discussion

10:30 am – 11:00 am     Coffee Break

11:00 am – 11:25 am     Emily A. Carter (Princeton University, North America)

“Mechanism for Solar Fuel Production from First Principles”

11:25 am – 11:35 am     Discussion

11:35 am – 12:00 pm     Inke Siewert (University of Göttingen, Europe)

“PCET reactions of metal complex with proton responsive ligands in small molecule activation”

12:00 pm – 12:10 pm     Discussion

12:15 pm                              Lunch

PCET in Energy Catalysis I

Discussion Leader: Charles Machan (University of Virginia, North America)

2:00 pm – 2:25 pm          Ken Sakai (Kyushu University, Asia)

*Chemical Communications Sponsored Lecture*

“Catalytic Hydrogen Evolution Reactions Coupled with Proton-Coupled Electron Transfer Processes”

2:25 pm – 2:35 pm         Discussion

2:35 pm – 3:00 pm         Louise Berben (University of California, Davis, North America)

“Managing Reactivity of Hydrides in Electrocatalytic CO2 Reduction to Formate”

3:00 pm – 3:10 pm         Discussion

3:10 pm – 3:25 pm         Alex Peroff (Pine Research Instrumentation, North America)

“Application of Rotating-Disk Electrochemistry for H2 Evolution by a Cobaloxime Electrocatalyst”

3:30 pm – 4:00 pm          Break by posters

4:00 pm                                Poster session

6:00 pm                                Dinner

PCET of N2 Chemistry

Discussion Leader: Alexander Miller (University of North Carolina, North America)

7:30 pm – 7:55 pm          Paul J. Chirik (Princeton University, North America)

“Applications of PCET to Ammonia Synthesis and Oxidation”

7:55 pm – 8:05 pm          Discussion

8:05 pm – 8:30 pm          Shelley D. Minteer (The University of Utah, North America)

“Nitrogenase Bioelectrochemistry”

8:30 pm – 8:40 pm          Discussion

8:40 pm – 9:05 pm          Lance Seefeldt (Utah State University, North America)

“Insights into the Nitrogenase Mechanism”

9:05 pm – 9:15 pm          Discussion

9:15 pm                                 Posters/Reception

 

Tuesday, June 12th, 2018

7:30 am                                 Breakfast

PCET in Biology

Discussion Leader: Kana Takematsu (Bowdoin College, North America)

9:00 am – 9:25 am          John W. Peters (Washington State University, North America)

“Electron Bifurcation”

9:25 am – 9:35 am          Discussion

9:35 am – 10:00 am        Nigel Scrutton (The University of Manchester, Europe)

“Proton Coupled Electron Transfer in Light-dependent Protochlorophyllide Oxidoreductase”

10:00 am – 10:10 am      Discussion

10:10 am – 10:25 am      Monica Sanchez (Emory University, North America)

“Biohybrid Nanorod-Enzyme Conjugates for Controlled Photoinduced Turnover in FeFe Hydrogenase”

10:25 am – 10:30 am      Discussion

10:30 am – 11:00 am      Coffee break

11:00 am – 11:25 am      Bern Kohler (The Ohio State University, North America)

“Photoinduced PCET in DNA Strands”

11:25 am – 11:35 am      Discussion

11:35 am – 12:00 pm      Jay Winkler (California Institute Technology, North America)

“Electrons, Holes, Protons, and Proteins”

12:00 pm – 12:10 pm      Discussion

12:15 pm                               Lunch

1:00 pm – 5:00 pm           Excursions

6:00 pm                                 Dinner

PCET in Organic Transformations

Discussion Leader: Timothy Warren (Georgetown University, North America)

7:30 pm – 7:55 pm          Robert Knowles (Princeton University, North America)

“PCET in Organic Synthesis: Recent Advances in the Homolytic Activation of Strong Bonds”

7:55 pm – 8:05 pm          Discussion

8:05 pm – 8:30 pm          Erik J. Alexanian (University of North Carolina, North America)

“New Catalytic Strategies for Hydrocarbon Functionalization”

8:30 pm – 8:40 pm          Discussion

8:40 pm – 8:55 pm          Abolghasem (Gus) Bakhoda (Georgetown University, North America)

“Copper Catalyzed sp3 C-H Amidation: Sterically Driven 1° and 2° C-H Site- Selectivity”

8:55 pm – 9:00 pm         Discussion

9:00 pm                                Posters/Reception

 

Wednesday, June 13th, 2018

7:30 pm                                Breakfast

PCET at Materials Interfaces

Discussion Leader: Smaranda Marinescu (University of Southern California, North America)

9:00 am – 9:25 am          Yogesh Surendranath (Massachusetts Institute of Technology, North America)

“Interfacial PCET Branch Points in Fuel-Forming Electrocatalysis”

9:25 am – 9:35 am           Discussion

9:35 am – 10:00 am        Emily A. Weiss (Northwestern University, North America)

“PCET at Inorganic-Organic Interfaces within Colloidal Quantum Dots”

10:10 am – 10:35 am     Sharon Hammes-Schiffer (Yale University, North America)

“Interfacial Proton-Coupled Electron Transfer: Photoreduced Nanocrystals and Metal Electrodes”

10:35 am – 10:45 am     Discussion

10:45 am                              Coffee break

11:00 am – 11:25 am     Cyrille Costentin (Université Paris Diderot, Europe)

“Role of Proton Transfer and Transport Coupled to Electron Transfer in Porous Materials: from Charge Storage to Fuel Production”

11:25 am – 11:35 am     Discussion

11:35 am – 12:00 pm     Marc Koper (Universiteit Leiden, Europe)

“Proton-coupled electron transfer in heterogeneous electrocatalysis”

12:00 pm – 12:10 pm     Discussion

12:15 pm                              Lunch (Business meeting for International Committee)

Excited-State PCET and Photochemistry

Discussion Leader: Elizabeth Young (Lehigh University, North America)

1:45 pm – 2:10 pm          Oliver Wenger (Universität Basel, Europe)

“Photoinduced Multi-Electron Multi-Proton Transfer”

2:10 pm – 2:20 pm          Discussion

2:20 pm – 2:45 pm          Dmitry Polyansky (Brookhaven National Laboratory, North America)

“Hydrogen Bonding and Solvent Interactions in Photoinduced PCET”

2:45 pm – 2:55 pm          Discussion

2:55 pm – 3:10 pm          Ian Stanton (Edinburgh Instruments, North America)

“Utilizing a Turn-Key Nanosecond Transient Absorption Spectrometer to Observe Photo-Induced Electron Transfer Processes; The Edinburgh Instruments LP980”

3:10 pm – 3:15 pm          Discussion

3:15 pm – 3:40 pm          Marc Robert (Université Paris Diderot, Europe)

“Photo-stimulated PCET Catalytic Reactions. Efficient Conversion of CO2 into CO and into CH4 with Fe and Co Molecular Catalysts

3:40 pm – 3:50 pm          Discussion

3:50 pm                                Break by posters

4:00 pm – 6:00 pm          Posters

6:30 pm                                Banquet

 

Thursday, June 14th, 2018

7:30 am                                Breakfast

Fundamentals and Model Systems

Discussion Leader: Leif Hammarström (Uppsala Unviersity, Europe)

9:00 am – 9:25 am          Massimo Bietti (Università di Roma, Europe)

“Hydrogen Atom and Proton Transfer Pathways in the Reactions of the Cumyloxyl Radical with Intramolecularly Hydrogen Bonded Phenols”

9:25 am – 9:35 am          Discussion

9:35 am – 10:00 am        Tom Miller (California Institute of Technology, North America)

“New methods for the simulation of PCET dynamics”

10:00 am – 10:10 am      Discussion

10:10 am – 10:25 am      Ludovic Troian-Gautier (University of North Carolina Chapel Hill/Université libre de Bruxelles)

“Photo-CIDNP reveals two different photo-induced electron/proton transfer processes for protonatable ruthenium(II) polyazaaromatic complexes”

10:25 am – 10:30 am      Discussion

10:30 am – 11:00 am      Coffee break

11:00 am – 11:25 am      Starla Glover (Uppsala University, Europe and University of Pennsylvania, North America)

“Unraveling the Role of Local and Global Protein Properties on the Redox Behavior of Tyrosine and Tryptophan”

11:25 am – 11:35 am     Discussion

11:35 am – 12:00 pm     David Stanbury (Auburn University, North America)

“PCET at Sulfur Centers in Aqueous Solution”

12:00 pm – 12:10 pm     Discussion

12:10 pm – 12:30 pm     Closing remarks and presentation of poster awards

12:30 pm                              Boxed lunches

1:30                                         Departure to Charlotte-Douglas International Airport