Khaldoon A. Barakat, Ph.D.

2007 University of North Texas, Denton, TX, United States 
computational chemistry, inorganic, organometallic chemistry
"Khaldoon Barakat"
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Thomas R. Cundari grad student 2007 University of North Texas
 (Computational studies of selected ruthenium catalysis reactions.)
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De Jesus MC, Ingle BL, Barakat KA, et al. (2014) The role of strong electrostatic interactions at the dimer interface of human glutathione synthetase. The Protein Journal. 33: 403-9
Slavens KD, Brown TR, Barakat KA, et al. (2011) Valine 44 and valine 45 of human glutathione synthetase are key for subunit stability and negative cooperativity. Biochemical and Biophysical Research Communications. 410: 597-601
Rosenfeld DC, Wolczanski PT, Barakat KA, et al. (2007) Synthesis and reactivity of [(silox)2Mo=NR]2Hg (R=tBu, tAmyl; silox=OSitBu3): unusual thermal stability and ready nucleophilic cleavage rationalized by electronic factors. Inorganic Chemistry. 46: 9715-35
Barakat KA, Cundari TR, Rabaâ H, et al. (2006) Disproportionation of Gold(II) complexes. A density functional study of ligand and solvent effects. The Journal of Physical Chemistry. B. 110: 14645-51
Feng Y, Lail M, Foley NA, et al. (2006) Hydrogen-deuterium exchange between TpRu(PMe3)(L)X (L = PMe3 and X = OH, OPh, Me, Ph, or NHPh; L = NCMe and X = Ph) and deuterated arene solvents: evidence for metal-mediated processes. Journal of the American Chemical Society. 128: 7982-94
Zhang J, Barakat KA, Cundari TR, et al. (2005) Synthesis of the five-coordinate ruthenium(II) complexes [(PCP)Ru(CO)(L)][BAr'4] [PCP = 2,6-(CH2P(t)Bu2)2C6H3, BAr'4 = 3,5-(CF3)2C6H3, L = eta1-ClCH2Cl, eta1-N2, or mu-Cl-Ru(PCP)(CO)]: reactions with phenyldiazomethane and phenylacetylene. Inorganic Chemistry. 44: 8379-90
Feng Y, Lail M, Barakat KA, et al. (2005) Evidence for the net addition of arene C-H bonds across a Ru(II)-hydroxide bond. Journal of the American Chemical Society. 127: 14174-5
Rosenfeld DC, Wolczanski PT, Barakat KA, et al. (2005) 3-center-4-electron bonding in [(silox)2Mo=NtBu]2(mu-Hg) controls reactivity while frontier orbitals permit a dimolybdenum pi-bond energy estimate. Journal of the American Chemical Society. 127: 8262-3
Lail M, Gunnoe TB, Barakat KA, et al. (2005) Conversions of Ruthenium(III) alkyl complexes to Ruthenium(II) through Ru-C alkyl bond homolysis Organometallics. 24: 1301-1305
Barakat K, Cundari TR. (2005) Chemical and photophysical properties of AuI, AuII, AuIII, and AuI-dimer complexes Chemical Physics. 311: 3-11
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