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Crystallography

X-Ray Crystallography Facility

Chrystallography

Dr. Brendan Twamley

Contact Details:

Phone:
+353-1-896 1050
+353-1-896 3463
+353-1-896 4448
+353-1-896 3182

Fax:
+353-1-671 2826

Email:
twamleyb@tcd.ie

Xray

The packing diagram of the X-ray crystal structure of a [4p+4p] photodimerization product as viewed down the c-axis.

Instrumentation

The X-Ray Crystallography Facility is equipped with two CCD X-Ray Diffractometers; a Bruker SMART APEX (2001) which is located in room 0.24, IAMS, and a Rigaku Saturn-724 (2007) located in room 0.5, old Chemistry Building. Low temperature data collections are routine on both instruments. Measurements using the Bruker Smart Apex are carried out using MoKα radiation while the Rigaku Saturn-724 instrument is equipped with both CuKα and MoKα radiation sources. Services of the facility include low temperature data collection, unit cell determination, data reduction, space group determination, molecular structure solution and refinement. Initial contact to the facility is by phone or email. For full crystal structure determination, users must complete the Request for Molecular Structure Determination form available here in electronic format.

Recent Publications

  1. pH driven self-assembly of a ternary lanthanide luminescence complex: The sensing of anions using a beta-diketonate-Eu(III) displacement assay Joseph P. Leonard, Cidália M. G. dos Santos, Sally E. Plush, Thomas McCabe and Thorfinnur Gunnlaugsson, Chem. Commun., 2007, 129 - 131.
  2. Synthesis, structural and photophysical evaluations of urea based fluorescent PET sensors for anions Cidália M. G. dos Santos, Mark Glynn, Thomas McCabe, J. Sérgio Seixas de Melo, HughD. Burrows and Thorfinnur Gunnlaugsson, Supramol. Chem., 2007, 19, In Press.
  3. Selective fluorescent sensing of chloride Cidalia M. G. dos Santos, Thomas McCabe and Thorfinnur Gunnlaugsson, Tetrahedron Lett., 2007, 48, In Press.
  4. 'Novel axially chiral bis-(thio)arylurea-based organocatalysts for asymmetric Friedel-Crafts type reactions', E. M. Fleming, T. McCabe and S. J. Connon, Tetrahedron Lett., 2006, 47, 7037.
  5. 'Asymmetric acyl-transfer promoted by readily assembled chiral 4-N,N-dialkylaminopyridine derivatives', C. O' Dálaigh, S. J. Hynes, J. E. O'Brien, T. McCabe, D. J. Maher, G. W. Watson and S. J. Connon, Org. Biomol. Chem., 2006, 4, 2785.
  6. 'Novel axially chiral bis-(thio)arylurea-based organocatalysts for asymmetric Friedel-Crafts type reactions', E. M. Fleming, T. McCabe and S. J. Connon, Tetrahedron Lett., 2006, 47, 7037.
  7. 'Stereoselective synthesis of highly functionalized nitrocyclopropanes via organocatalytic conjugate addition to nitroalkenes', S. H. McCooey, T. McCabe and S. J. Connon, J. Org. Chem., 2006, 71, 7494.
  8. Thomas Greene, Tom McCabe and Mary J Meegan, , The b-ƒ{Lactam ring as a scaffold for combretastatin A-4 analogues , 15th Conference of GP2A, University of Bath, , Bath, UK , September 7-8, 2006,, 2006, ppP16-
  9. Thomas Greene, Tom McCabe and Mary J Meegan, The b-Lactam ring as a scaffold for combretastatin A-4 analogues , , Recent Advances in Synthesis and Chemical Biology, Royal College of Surgeons in Ireland, Dublin, December 15th, 2006,, 2006, ppP31-
  10. Thomas F. Greene, Thomas McCabe, Mary J. Meegan., The â-Lactam Ring as a Scaffold for Combretastatin A-4 Analogues, 2006All Ireland Schools of Pharmacy, 28th Research Seminar, Queens University Belfast, April 10-11, 2006, 2006, ppP52-
  11. P. Evans, T. McCabe, B. S. Morgan and S. Reau, The Double Reduction of Cyclic Aromatic Sulfonamides: A Novel Method for the Synthesis of 2- and 3-Aryl Substituted Cyclic Amines, Org. Lett., 2005, 7, 43.
  12. The Synthesis, Structural Characterization, and Photochemistry of some 3-Phenylindenones. Synthesis, 2005, 470. [M.K. Seery, S.M. Draper, J.M. Kelly, T. McCabe, and T.B.H. McMurry]
  13. ‘Cyclen based lanthanide ion ribonuclease mimics: The effect of pyridine pendant arms upon phosphodiester HPNP hydrolysis’. Thorfinnur Gunnlaugsson, R. Jeremy H. Davies, Paul E. Kruger, Paul Jensen, Thomas McCabe, Sinead Mulready, Clarke S. Stevenson and Ann-Marie Fanning, Tetrahedron Letters, 2005, 46, 3761-3766.

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Last updated 22 April 2014 by School of Chemistry (Email).