NSF Org:	CHE Division Of Chemistry
Recipient:	TEXAS A & M RESEARCH FOUNDATION
Initial Amendment Date:	December 18, 1991
Latest Amendment Date:	October 27, 1993
Award Number:	9117752
Award Instrument:	Continuing Grant
Program Manager:	Richard Hilderbrandt CHE  Division Of Chemistry MPS  Directorate for Mathematical and Physical Sciences
Start Date:	January 1, 1992
End Date:	September 30, 1995 (Estimated)
Total Intended Award Amount:	$186,000.00
Total Awarded Amount to Date:	$186,000.00
Funds Obligated to Date:	FY 1992 = $62,000.00 FY 1993 = $62,000.00 FY 1994 = $62,000.00
History of Investigator:	Karl Gingerich (Principal Investigator)
Recipient Sponsored Research Office:	Texas A&M Research Foundation 400 HARVEY MITCHELL PKWY S STE 300 COLLEGE STATION TX  US  77845-4375 (979)862-6777
Sponsor Congressional District:	10
Primary Place of Performance:	Texas A&M University 400 HARVEY MITCHELL PKY S STE 300 COLLEGE STATION TX  US  77845-4375
Primary Place of Performance Congressional District:	10
Unique Entity Identifier (UEI):	EQH8NQ4AXFT7
Parent UEI:
NSF Program(s):	STATISTICAL AND SIMULATIONS
Primary Program Source:	app-0193  app-0194
Program Reference Code(s):	AMPP, 9161
Program Element Code(s):	195600
Award Agency Code:	4900
Fund Agency Code:	4900
Assistance Listing Number(s):	47.049

ABSTRACT

Professor Gingerich is supported by a grant from the Theoretical and Computational Chemistry Program to study the thermodynamic stabilities of metal, carbon, and semiconductor clusters. Thermodynamic properties of small inorganic clusters will be determined from high temperature equilibrium measurements with a Knudsen effusion cell mass spectrometer. Systems studied will include diatomic transition metals, carbides and nitrides, and clusters of metals, carbon, silicon, germanium and inter-group IV compounds. Bond energies and enthalpies of formation will be derived from the measured reaction enthalpies. For selected molecules the equilibrium measurements will be complemented by theoretical calculations and matrix isolation spectroscopic investigations in order to elucidate the molecular structure and nature of bonding. %%% The proposed investigations will provide much needed fundamental knowledge for refractory materials of applied interest. It is expected that the results obtained from this research will aid the finding of new materials with improved technological properties.

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