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Award Abstract #1229400

MRI: Acquisition of a single-crystal diffractometer for the University of Minnesota

Division Of Chemistry
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Initial Amendment Date: August 30, 2012
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Latest Amendment Date: August 30, 2012
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Award Number: 1229400
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Award Instrument: Standard Grant
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Program Manager: Carlos A. Murillo
CHE Division Of Chemistry
MPS Direct For Mathematical & Physical Scien
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Start Date: September 15, 2012
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End Date: August 31, 2015 (Estimated)
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Awarded Amount to Date: $255,850.00
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Investigator(s): John Ellis ellis@umn.edu (Principal Investigator)
Connie Lu (Co-Principal Investigator)
Changquan Sun (Co-Principal Investigator)
Lawrence Que (Co-Principal Investigator)
William Tolman (Co-Principal Investigator)
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Sponsor: University of Minnesota-Twin Cities
Minneapolis, MN 55455-2070 (612)624-5599
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Program Reference Code(s): 1189, 1948, 1982, 6884, 7905, 8650
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Program Element Code(s): 1938


With this award from the Major Research Instrumentation Program that is co-funded by the Chemistry Research Instrumentation and Facilities (CRIF) Program, Professor John Ellis from University of Minnesota-Twin Cities and colleagues Lawrence Que, William Tolman, Calvin Sun and Connie Lu will acquire a single crystal diffractometer with a compact copper radiation source, photon detector and a top-of-the-line cryostat capable of collecting high-resolution diffraction data on very small specimens. The proposal is aimed at enhancing research training and education at all levels, especially in areas such as (a) hydrocarbon-stabilized metal-atom reagents; (b) electron-transfer molecular catalysts; (c) bioinorganic studies of metallo-copper enzymes and synthesis of sustainable polymeric materials; (d) study and optimization of the physico-mechanical properties of drugs; (e) model complexes of non-heme iron metalloenzymes; (f) design of biologically active agents; (g) synthetic routes to biologically active compounds; (h) Pro-Leu-Gly-NH2 and dopamine receptor modulation study and anthrax toxin lethal factor inhibition; and (i) study of parthenolide and helenalin analogues.

An X-ray diffractometer allows accurate and precise measurements of the full three dimensional structure of a molecule, including bond distances and angles, and provides accurate information about the spatial arrangement of a molecule relative to neighboring molecules. The studies described here will impact a number of areas, including organic and inorganic chemistry, materials chemistry and biochemistry. This instrument will be an integral part of teaching as well as research not only at the University of Minnesota but also at neighboring colleges and universities in the Twin Cities area.


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Clouston, L. J.; Siedschlag, R. B.; Rudd, P. A.; Planas, N.; Hu, S.; Miller, A. D.; Gagliardi, L.;
Lu, C. C.. "Systematic Variation of Metal-Metal Bond Order in Metal-Chromium Complexes," J. Am. Chem. Soc., v.135, 2013, p. 13142. 

Tereniak, S. J.; Carlson, R. K; Clouston, L. J.; Young, V. G., Jr.; Bill, E.*; Maurice, R.; Cheng,Y.-S.; Kim, H. J.; Gagliardi, L.*; Lu. C. C.*. "Role of the Metal in the Bonding and Properties of Bimetallic Complexes with Metal-Metal Interactions Involving Manganese, Iron, and Cobalt," J. Am. Chem. Soc., v.136, 2014. 

Zall, C. M.; Clouston, L. J.; Young, V. G., Jr.; Ding, K.; Kim, H. J.; Zherebetsky, D.; Cheng, Y.-S.; Bill, E.*; Gagliardi, L.*; Lu, C. C.*. "Mixed-Valent Dicobalt and Iron-Cobalt Complexes with High-Spin Configurations and Short Metal-Metal Bonds," Inorg. Chem., v.52, 2013, p. 9216.

Biswas, A. N.; Puri, M.; Meier, K. K.; Oloo, W. N.; Rohde, G. T.; Bominaar, E. L.; Münck, E.; Que, L., Jr.. "Modeling TauD-J: A High-Spin Nonheme Oxoiron(IV) Complex with High Reactivity Toward C?H Bonds," J. Am. Chem. Soc., 2015.

D. Dhar, W. B. Tolman. "Hydrogen Atom Abstraction from Hydrocarbons by a Copper(III)-Hydroxide Complex," J. Am. Chem. Soc., v.137, 2015, p. 1322. 

Dunn, P. L.; Reath, A. H.; Clouston, L. J.; Young Jr., V. G.; Tonks, I. A.. "Homo- and heteroleptic group 4 2-(diphenylphosphino)pyrrolide complexes: Synthesis, coordination chemistry and solution state dynamics," Polyhedron, 2014. 

Eisenhart, R. J.; Carlson, R. K.; Boyle, K. M.; Gagliardi, L.; Lu, C. C.. "Synthesis and Redox Reactivity of a Phosphine-ligated Dichromium Paddlewheel," Inorg. Chim. Acta, 2015. 

Eisenhart, R. J.; Rudd, P. A.; Planas, N.; Boyce, D. W.; Carlson, R. K.; Tolman, W. B.; Bill, E.*; Gagliardi, L.; Lu, C. C.. "Pushing the Limits of Delta Bonding in Metal-Chromium Complexes with Redox Changes and Metal Swapping," Inorg. Chem., 2015.

Prakash, J.; Rohde, G. T.; Meier, K. K.; Jasniewski, A. J.; Heuvelen, K. M. V.; Münck, E.; Que, L., Jr.. "Spectroscopic Identification of FeIII (and not FeIV) in the Crystalline Adduct Formed from [FeIV(O)(TMC)(NCMe)]2+," J. Am. Chem. Soc., 2015.

Siedschlag, R. B.; Bernales, V.; Vogiatzis, K. D.; Planas, N.; Clouston, L. J.; Bill, E.; Gagliardi, L.*; Lu, C. C.. "Catalytic Silylation of Dinitrogen with a Dicobalt Complex.?," J. Am. Chem. Soc., v.137, 2015, p. 4638. 

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