to the Ghosh group website
Above: Summer midnight in Tromsø: a raft of eiders, picture taken June 4, 2005
Current group members: Dr. Emmanuel Gonzalez, Dr. Kathrin Hopmann, Dr. Adam Chamberlin (postdocs); Espen Tangen, Thomas Kolle, Abraham Alemayehu, (PhD students); Can Capar (Master's students).
Publications: 1-25 (26-50) (51-75) (76-100) (101-125)
The group's molecule of the year: Copper(III) octakis(trifluoromethyl)-meso-triphenylcorrole, prepared by PhD student Kolle E. Thomas.
Professor of Inorganic and Materials Chemistry and Principal Scientist, Center for Theoretical and Computational Chemistry (CTCC)
Department of Chemistry, Faculty of Science, University of Tromsø, N-9037 Tromsø, Norway.
Tel. +47 77 64 40 72, Fax: +47 7764476, E-mail: email@example.com
Born 1964 in India
BSc (Hons.) in chemistry, Jadavpur University, India, 1987
PhD in chemistry, University of Minnesota, 1992, with Professor Paul G. Gassman
Postdoctorals with Prof. Lawrence Que, Jr. at the University of Minnesota (1992-1994) and with Prof. David Bocian at the University of Caifornia, Riverside (1995)
Senior Fellow, San Diego Supercomputer Center, University of California San Diego (1997-2004)
Outstanding Younger Researcher of the Norwegian Research Council (2004-2010)
Member of the editorial advisory boards of:
Journal of Biological Inorganic Chemistry (1998-2000, 2004-2006); Journal of Inorganic Biochemistry (2007 onward); Journal of Porphyrins and Phthalocyanines (1997 onward)
ChemTracts Inorganic Chemistry (2008 onward)
Editorial works: Work for second-rate minds?
Journal thematic issues (and the like) that I have recently edited
1. "Theory and Computing in Contemporary Coordination Chemistry", a special issue of Coordination Chemistry Reviews, March 2009
2. "Just how good is DFT?", a series of Commentaries by Lou Noodleman, Per Siegbahn, Frank Neese, and myself in JBIC, September, 2006
3. "Heme-diatomic interactions," Parts 1 and 2, JIB, January and April, 2005
4. "High-valent iron in chemistry and biology," a special Issue of the Journal of Inorganic Biochemistry, April, 2006.
(a) første doktorgrad i uorganisk kjemi
(b) forskning av laveregradsstudenter
(c) Ny bruk for blodet
(d) Artikkel om nitritt i NBS-nytt
| Check out
this new book!
THE SMALLEST BIOMOLECULES: DIATOMICS AND THEIR INTERACTIONS WITH HEME PROTEINS
Designed to provide a broad multidisciplinary overview of heme-diatomic interactions, this book draws upon the combined experience of experts in chemistry, biochemistry, molecular biology, microbiology, zoology, physics, medicine and surgery. Chapters present research into NO biology, hemoglobin and heme-based sensors from a variety of perspectives, with the purpose of increasing exchange of ideas, approaches, and techniques across traditional disciplinary boundaries.
Contributing authors are all leading heme protein research and include John Olson, Tom Spiro, Walter Zumft, F. Ann Walker, Teizo Kitagawa, W. Robert Scheidt, Pat Farmer, and Marie-Alda Gilles-Gonzalez, among many others.
An attractive aspect of our laboratory is that we pursue theoretical and experimental research "under one roof", which results in an unusually stimulating intellectual atmosphere for all involved, but particularly for students and postdocs. Our research thus ranges from chemical synthesis, both organic and inorganic, to state-of-the-art multiconfigurational ab initio studies. Currently, we are exploiting our expertise on porphyrins and related macrocycles to develop novel functional materials.
Functional and nanostructured materials. Our present experimental efforts are directed, above all, to the design and synthesis of a variety of functional materials - photovoltaics (for solar energy conversion), nonlinear optical materials (materials for two-photon absorption), liquid crystals, OLEDs, etc. These synthetic efforts are tightly coupled with a variety of physical measurements and theoretical simulations. We are also rekindling our long-standing interest in core-level spectroscopic techniques such as XPS, XAS, and Auger electron spectroscopies, not only as standard analytical tools but also to derive unique electronic-structural insights that cannot be obtained with other methods.
Organic/Inorganic Synthesis. Despite our preoccupation with materials chemistry, we also pursue a good deal of synthesis for synthesis' sake. Much of this latter effort centers around corrole chemistry and involves a mix of organic and inorganic chemistry. The organic aspect of this research focuses on novel pyrrole-aldehyde-based self-assembly processes as well as on the synthesis of fluorinated macrocycles. On the inorganic front, we are focusing on the high-valent transition metal chemistry of corroles. Metallocorroles are not only of interest as stable models of heme protein reactive intermediates, but also for their potential as catalysts in a variety of synthetic transformations.
Novel transition metal complexes and new bonding concepts. Molecules with unusual electronic structures inspire a sizable fraction of our theoretical research. Indeed, we often find ourselves pursuing electronic-structural "rarities", without much thought of their practical importance. It's an approach that risks being dismissed as "butterfly-collecting", especially in today's utilitarian climate. Yet, almost by definition, pursuing rarities results in a direct expansion of our fundamental ideas on chemical structure and bonding. Current projects under this heading focus on (a) transition metal NO complexes, (b) low-coordinate complexes, (c) f-element chemistry, and (d) a variety of metalloenzyme intermediates.
Above: DFT spin density plot for a Ni(III)-thiolate complex, a model of the ox1 state of methylcoenzyme M reductase (the enzyme responsible for the last step of biological methanogenesis)
Ab initio calculations and calibration of DFT. Compared with DFT, traditional ab initio methods are generally rather impractical for real-life problems involving transition metals. Yet there is one area where high-level ab initio methods such as CASPT2 and CCSD(T) have an edge over DFT and that is the question of energetics of the low-lying spin states of transition metal complexes. Currently, we are working with Prof. Björn Roos (Lund University, Sweden) on the spin state energetics of a variety of heme and nonheme systems, taking advantage of Cholesky decomposition-based methods to tackle larger systems. A key result in this area is the elucidation of the long-debated electronic structure of chloroiron corrole: it is noninnocent and is best described as an Fe(III) corrole radical, as opposed to iron(IV).
Recent and upcoming presentations by AG or other group member
1. Recent trends in Theoretical Chemistry and Physics, Indian Association for the Cultivation of Kolkata, India, January 3-6
2. Coordination Chemistry of Nitric Oxide and its Implication for Metabolism, Imaging and Toxicity, a symposium at the 237th National ACS Meeting, Salt Lake City, March 22-26 (See flyer to the left)
3. 19th International Symposium on Fluorine Chemistry, Jackson Hole, Wyoming, USA, August 23-28.
4. Pacifichem 2010, Honolulu, Hawaii, USA, Decmber 15-20, 2010.
Above: Bush Key, Dry Tortugas, Florida (2004)
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