Senior Research Associate (X-Ray Crystallography)
Chemical Crystallography
Crystallographic methods provide detailed atomic-level descriptions of crystalline solids, including molecular structure and geometrical information on intermolecular interactions.
Single-crystal and powder X-ray diffraction are core analytical techniques within the chemical sciences, which support and augment a broad range of research within the Department. Modern diffraction instruments, applied at both laboratory and synchrotron sources, enable complex chemical problems to be tackled using crystallographic methods: for example, characterizing and understanding the consequences of disorder in molecular crystals or monitoring chemical changes in single crystals or crystalline powders.
Publications
Crystal structure prediction of indomethacin
– Acta Crystallographica Section A Foundations and Advances
(2014)
70,
c1540
(doi: 10.1107/s2053273314084599)
Interpreting Disordered PXRD Structures using Molecular Dynamics
– Acta Crystallographica Section A Foundations and Advances
(2014)
70,
C1569
(doi: 10.1107/s2053273314084307)
In situ monitoring of hydration and dehydration in pharmaceutical solids
– Acta Crystallographica Section A Foundations and Advances
(2014)
70,
c906
(doi: 10.1107/s2053273314090937)
Parametric Rietveld refinement applied to dehydration of sodium naproxen
– Acta Crystallographica Section A: Foundations and advances
(2014)
70,
C503
(doi: 10.1107/s2053273314094960)
Distinguishing tautomerism in the crystal structure of (Z)-N-(5-ethyl-2,3-dihydro-1,3,4-thiadiazol-2-ylidene)-4-methylbenzenesulfonamide using DFT-D calculations and13C solid-state NMR
– Acta Crystallographica Section C Structural Chemistry
(2014)
70,
784
(doi: 10.1107/s2053229614015356)
In situ crystallization of the linear alkynes CnH2n'2 (n = 7, 8, 9, 10)
– Zeitschrift für Kristallographie - Crystalline Materials
(2014)
229,
661
(doi: 10.1515/zkri-2014-1731)
ChemInform Abstract: Syntheses of Donor—Acceptor‐Functionalized Dihydroazulenes.
– ChemInform
(2014)
45,
no
(doi: 10.1002/chin.201420056)
Magnetic Interactions through Fluoride: Magnetic and Spectroscopic Characterization of Discrete, Linearly Bridged [MnIII 2(μ-F)F4(Me3tacn)2](PF6)
– Inorganic Chemistry
(2014)
53,
5013
(doi: 10.1021/ic500049w)
Cross‐Conjugation vs. Linear Conjugation in Donor–Bridge–Acceptor Nitrophenol Chromophores
– European Journal of Organic Chemistry
(2014)
2014,
2044
(doi: 10.1002/ejoc.201301642)
Introduction to the special issue on crystal engineering.
– Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials
(2014)
70,
1
(doi: 10.1107/S2052520614000286)
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