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Award Abstract #1228232

MRI: Acquisition of a Single-Crystal, Micro-Source Diffractometer

Division Of Chemistry
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Initial Amendment Date: August 22, 2012
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Latest Amendment Date: August 22, 2012
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Award Number: 1228232
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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 1, 2012
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End Date: August 31, 2015 (Estimated)
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Awarded Amount to Date: $249,200.00
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Investigator(s): Joel Mague joelt@tulane.edu (Principal Investigator)
James Donahue (Co-Principal Investigator)
Bruce Gibb (Co-Principal Investigator)
Robert Pascal (Co-Principal Investigator)
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Sponsor: Tulane University
NEW ORLEANS, LA 70118-5698 (504)865-4000
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Program Reference Code(s): 1108, 1189, 1948, 9150
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Program Element Code(s): 1189


With this award from the Major Research Instrumentation (MRI) program, Professor Joel Mague from Tulane University and colleagues Robert Pascal, Bruce Gibb and James Donahue will acquire a single crystal X-ray diffractometer equipped with a CCD detector and a micro-source. The proposal is aimed at enhancing research training and education at all levels, especially in areas such as (a) synthesis and structural characterization of complex inorganic molecules; (b) probing limits of synthesis of large, complex inorganic molecules by modular methods; (c) synthesis of sterically hindered thiolate ligands for the stabilization of coordinately unsaturated metal centers of biological significance; (d) assembly and binding properties of deep-cavity cavitands; (e) hydroxycarboxylate complexes of lanthanide metal; and (f) unusual structure and bonding in complex aromatic molecules.

A crystal X-ray diffractometer probes a solid sample with a beam of X-rays to produce a pattern of diffracted rays. This pattern can be deconvoluted to give the chemical structure of the crystalline material. Thus, bond distances and angles between atoms in the crystal can be obtained. This information provides insight into the properties and possible uses of the material. This acquisition will provide faculty and students with modern instrumentation not currently available at the institution and advance their research efforts. It will be used in an undergraduate laboratory course training significant numbers of students. The instrument will used by researchers at Tulane University, Loyola University and Xavier University in New Orleans as well as collaborators at other institutions.


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J. T. Mague, S. K. Mohamed, M. Akkurt, S. H. H. Younes & M. R. Albayati. "Crystal structure of ethyl (4R)-2-amino-7-hydroxy-4-phenyl-4H-chromene-3-carboxylate," Acta Cryst., v.E71, 2015.

Afzalian, Behnaz; Mague, Joel T.; Mohamadi, Maryam; Ebrahimipour, S. Yousef; Amiri, Behjat Pour; Kermani, Esmat Tavakolinejad. "Ni(II), Co(II), and Cu(II) complexes incorporating 2-pyrazinecarboxylic acid: Synthesis, characterization, electrochemical evaluation, and catalytic activity for the synthesis of 2H-indazolo[2,1-b]phthalazine-triones," Cuihua Xuebao, v.36, 2015.

Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Ahmed, Eman A.; Khodairy, Ahmed. "Crystal structure of (4Z)-4-[(dimethylamino)methylidene]-3,5-dioxo-2-phenylpyrazolidine-1-carbaldehyde," Acta Crystallographica, v.E71, 2015, p. o440.

Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Albayati, Mustafa R.. "Crystal structure of 4-amino-3-(3-methyl-5-phenyl-1H-pyrazol-1-yl)-1H-1,2,4-triazole-5(4H)-thione," Acta Crystallographica, v.E71, 2015, p. o417.

Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; El-Saghier, Ahmed M. M.; Albayati, Mustafa R. "Crystal structure of poly[di-?-aqua-{5-[(1Z)-2-(4-chlorophenyl)-1-cyanoethenyl]-1,2,3,4-tetrazol-1-ido-?N 1}sodium]," Acta Crystallographica, v.E71, 2015, p. m102.

Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Abdelhamid, Antar A.; Albayati, Mustafa R.. "Crystal structure of 2-(5-bromo-2-hydroxybenzylidene)-2,3-dihydro-1H-indene-1,3-dione," Acta Crystallographica, v.E71, 2015, p. o324.

Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Abdelhamid, Antar A.; Albayati, Mustafa R.. "Crystal structure of 1-{3-acetyl-2-(4-chlorophenyl)-6-hydroxy-4-[(2-hydroxypropyl)amino]-6-methylcyclohex-3-en-1-yl}ethanone," Acta Crystallographica, v.E71, 2015, p. o369.

Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Ahmed, Eman A.; Omran, Omran A.. "Crystal structure of ethyl 2-[2-((1E)-{(1E)-2-[2-(2-ethoxy-2-oxoethoxy)benzylidene]hydrazin-1-ylidene}methyl)phenoxy]acetate," Acta Crystallographica, v.E71, 2015, p. o16.

Akkurt, Mehmet; Mague, Joel T.; Mohamed, Shaaban K.; Ahmed, Eman A.; Albayati, Mustafa R.. "Crystal structure of ethyl 2-(2-{(1E)-[(E)-2-(2-hydroxybenzylidene)hydrazin-1-ylidene]methyl}phenoxy)acetate," Acta Crystallographica, v.E71, 2015, p. o70.

Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; El-Emary, Talaat I.; Albayati, Mustafa R.. "Crystal structure of N-[(8E)-12-methyl-14-phenyl-10,13,14,16-tetraazatetracyclo[,7.011,15]hexadeca-1(16),2,4,6,9,11(15),12-heptaen-8-ylidene]hydroxylamine 1,4-dioxane hemisolvate," Acta Crystallographica, v.E71, 2015, p. o75.

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