Please find below the title/abstract for Prof. Batista's talk, this coming
Wednesday, 4pm as part of the theochem series.
Best,
-A
---------- Forwarded message ----------
From: Victor Salvador Batista <victor.batista(a)yale.edu>
Date: Fri, Mar 26, 2010 at 12:01 PM
Subject: Re: ASAP: title/abstract
To: Alejandro Perdomo <perdomo(a)fas.harvard.edu>
Dear Alejandro: Please, find attached the title and abstract of my talk.
Please, let me know if you need anything else. Victor.
Title: Studies of Oxomanganese Complexes for Natural and Artificial
Photosynthesis.
Abstract: Mechanistic investigations of water oxidation in the
oxygen-evolving complex (OEC) of photosystem II (PSII) and artificial
biomimetic model complexes are fundamentally informed by structural studies.
Many physical techniques have provided important insights into the OEC
structure and function, including X-ray diffraction (XRD) and extended X-ray
absorption fine structure (EXAFS) spectroscopy as well as mass spectrometry
(MS), electron paramagnetic resonance (EPR) spectroscopy, and Fourier
transform infrared spectroscopy applied in conjunction with mutagenesis
studies. However, experimental studies have yet to yield consensus as to the
exact configuration of the catalytic metal cluster and its ligation scheme.
Computational modeling studies, including density functional (DFT) theory
combined with quantum mechanics/molecular mechanics (QM/MM) hybrid methods,
have proposed chemically satisfactory models of the fully ligated OEC within
PSII and have inspired the development of biomimetic systems for artificial
photosynthesis based on oxomanganese complexes. The models are useful for
rationalizing spectroscopic and crystallographic results and for building
complete structure-based mechanisms of water oxidation as described by the
intermediate states along the catalytic cycle. This talk will review recent
advances in computational modeling of natural and artificial systems within
the context of recent experimental studies at Yale.
Alejandro Perdomo wrote:
Dear Victor,
Please remember to send me the title of the talks as soon as possible. This
will be useful information to start contacting the faculty TODAY about your
visit on Tuesday.
Thanks!,
-A
--
Alejandro Perdomo-Ortiz
Ph.D. Candidate in Chemical Physics.
Harvard University
12 Oxford St #482, Cambridge, MA, 02138.
perdomo(a)fas.harvard.edu <mailto:perdomo@fas.harvard.edu>
--
Victor S. Batista
Professor of Chemistry &
http://xbeams.chem.yale.edu/~batista/
Director of Undergraduate Studies
http://wikid.chem.yale.edu
Department of Chemistry E-mail: victor.batista(a)yale.edu
Yale University Phone: (203)432-6672
New Haven, CT 06520 Fax: (203)432-6144
U.S.A. Office: 239 SCL
--
Alejandro Perdomo-Ortiz
Ph.D. Candidate in Chemical Physics.
Harvard University
12 Oxford St #482, Cambridge, MA, 02138.
perdomo(a)fas.harvard.edu