NSF Award Search: Award # 0515835

Award Abstract # 0515835

Towards Molecular Infomatics Based on Electronically-Coupled MM Units ( M = Mo or W)

NSF Org:	CHE Division Of Chemistry
Recipient:
Initial Amendment Date:	August 18, 2005
Latest Amendment Date:	May 22, 2007
Award Number:	0515835
Award Instrument:	Continuing Grant
Program Manager:	Carol Bessel cbessel@nsf.gov (703)292-4906 CHE Division Of Chemistry MPS Directorate for Mathematical and Physical Sciences
Start Date:	September 1, 2005
End Date:	August 31, 2009 (Estimated)
Total Intended Award Amount:	$0.00
Total Awarded Amount to Date:	$476,000.00
Funds Obligated to Date:	FY 2005 = $168,000.00 FY 2006 = $140,000.00 FY 2007 = $168,000.00
History of Investigator:	Malcolm Chisholm (Principal Investigator) chisholm@chemistry.ohio-state.edu
Recipient Sponsored Research Office:	Ohio State University Research Foundation -DO NOT USE 1960 KENNY RD Columbus OH US 43210-1016 (614)688-8734
Sponsor Congressional District:	03
Primary Place of Performance:	Ohio State University 1960 KENNY RD COLUMBUS OH US 43210-1016
Primary Place of Performance Congressional District:	03
Unique Entity Identifier (UEI):	QR7NH79713E5
Parent UEI:
NSF Program(s):	SYNTHETIC INORGANIC, PHYSICAL INORGANIC
Primary Program Source:	app-0105 app-0106 app-0107
Program Reference Code(s):	7237, 9146, MANU
Program Element Code(s):	196600, 196800
Award Agency Code:	4900
Fund Agency Code:	4900
Assistance Listing Number(s):	47.049

ABSTRACT

Professor Malcom Chisholm, a faculty member in the Department of Chemistry at Ohio State University, is supported by the Inorganic, Bioinorganic and Organometallic Chemistry Program to develop grids based on the paddle wheel structural motif of quadruply bound metal-metal dimers. These extended assemblies with redox active dinuclear metal building blocks will be investigated using a wide range of spectroscopic techniques. Thin film applications for electo-optic devices and carbon/molecule/copper junctions for carrying current will be explored.

The storage of information in molecules that can adopt two well-defined states with different characteristics is a science driver for this research plan. The ability to sense, signal and record information all hinge on electronic responses to molecular stimuli. In this project the distribution of electron density for mixed valence species and delocalization of charge will be assessed as one measure of the extent of electronic coupling. Extensive collaborations provide a breadth of research experiences for students involved in these studies.

PUBLICATIONS PRODUCED AS A RESULT OF THIS RESEARCH

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Alberding, B. G.; Chisholm, M. H.; Chou, Y.-H.; Gallucci, J. C.; Ghosh, Y.; Gustafson, T. L.; Patmore, N. J.; Reed, C. R.; Turro, C. "Quadruply Bonded Dimetal Units Supported by 2,4,6-Triisopropylbenzates MM(TiPB)4 (MM = Mo2, MoW, and W2): Preparation and Photophysical Properties" Inorg. Chem. , v.48 , 2009 , p.4394

Alberding, B. G.; Chisholm, M. H.; Gustafson, T. L.; Reed, C. R.; Singh, N.; Turro, C. "[Bis(trispivalatodimolybdenum(II))-Î¼-bis(4â?²-carboyxlato-2,2â?²:6â?²,2â?³-terpyridine) Ruthenium(II)] (2+) Tetrafluoroborate: Photophysical Studies" J. Cluster Sci. , v.20 , 2009 , p.307

Barybin, M. V.; Chisholm, M. H.; Patmore, N. J.; Robinson, R. E. and Singh, N. "Concerning the Molecular and electronic structure of a tungsten-tungsten quadruply bonded complex supported by two 6-Carboethoxy-2-carboxylatoazulene ligands." Chem. Commun. , 2007 , p.3652

Brown, D. J.; Chisholm, M. H. and Gallucci, J. C. "Amidinate-Carboxylate Complexes of Dimolybdenum and Ditungsten: M2(O2CR)2((NiPr)2CR′)2. Preparations, Molecular and Electronic Structures and Reactions." Dalton Trans. , 2007 , p.1615

Brown, D. J.; Chisholm, M. H. and Gribble, C. W. "Substitution Chemistry of MM Quadruply Bonded Complexes (M = Mo or W) Supported by the Anion of 2-hydroxy-6-methylpyridine." Dalton Trans. , 2007 , p.1793

Bruce E. Bursten, Malcolm H. Chisholm, and Jason S. D'Acchioli "Oxalate-Bridged Dinuclear M2 Units: Dimers of Dimers, Cyclotramers, and Extended Sheets (M = Mo, W, Tc, Ru and Rh)." Inorganic Chemistry , v.44 , 2005 , p.5571

Burdzinski, B. T.; Chisholm, M. H.; Chou, P.-T.; Chou, Y.-H.; Feil, F.; Gallucci, J. C.; Ghosh, Y.; Gustafson, T. L.; Ho, M.-L.; Liu, Y.; Ramnauth, R.; Turro, C. "The Remarkable Influence of M2Î´ to Thienyl Ï? Conjugation in Oligothiophenes Incorporating MM Quadruple Bonds" Proc. Nat. Acad. Sci. (USA) , v.105 , 2008 , p.15247

Burdzinski, G. T.; Ramnauth, R.; Chisholm, M. H.; Gustafson, T. L. "The Direct Observation of a 1MLCT State by Ultrafast Transient Absorption Spectroscopy in Mo2(O2C-9-anthracene)4" J. Am. Chem. Soc. , v.128 , 2006 , p.6776

Burroughs, B. A.; Bursten, B. E.; Chisholm, M. H. and Kidwell, A. R. "Metathesis of Nitrogen Atoms within Triple Bonds Involving Carbon, Tungsten, and Molybdenum." Inorg. Chem. , v.47 , 2008 , p.5377

Bursten, B. E.; Chen, S. and Chisholm, M. H. "Ligand effects on the stability of the insertion products: A DFT study of oxidative addition of NH3 to iridium(I) complex." J. of Organomet. Chem. , v.693 , 2008 , p.1547

Chen, S.; Chisholm, M. H.; Davidson, E. R.; English, J. B.; Lichtenberger, D. L. "Theoretical and Spectroscopic Investigations of the Bonding and Reactivity of (RO)3MN Molecules, where M = Cr, Mo, and W" Inorg. Chem. , v.48 , 2009 , p.828

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