Expanding the capability for variable temperature solid-state NMR in St Andrews

Research output

Research output per year 2012 2012 2013 2014 2015 2016

• 15 Article

Research output per year

Research output per year

Search results

• 2016

  Paramagnetic NMR of phenolic oxime copper complexes: a joint experimental and density functional study

  Buehl, M., Ashbrook, S. E., Dawson, D. M., Doyle, R., Hrobarik, P., Kaupp, M. & Smellie, I. A., 7 Oct 2016, In: Chemistry - A European Journal. 22, 43, p. 15328-15339 11 p.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

  • NMR Spectroscopy 100%
  • Oxime 100%
  • First Principle 50%
  • NMR Signal 50%
  • MAS NMR Spectroscopy 50%

• 2015

  An NMR crystallographic approach to monitoring cation substitution in the aluminophosphate STA-2

  Seymour, V. R., Eschenroeder, E. C. V., Wright, P. A. & Ashbrook, S. E., 1 Feb 2015, In: Solid State Nuclear Magnetic Resonance. 65, p. 64-74 11 p.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

  • NMR Spectroscopy 100%
  • Aluminophosphates 100%
  • Cation 100%
  • First Principle 50%
  • X-Ray Diffraction 50%

• New insights into phase distribution, phase composition and disorder in Y₂(Zr,Sn)₂O₇ ceramics from NMR spectroscopy

  Ashbrook, S. E., Mitchell, M., Sneddon, S., Moran, R., de los Reyes, M., Lumpkin, G. & Whittle, K., 14 Apr 2015, In: Physical Chemistry Chemical Physics. 17, 14, p. 9049-9059

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

  • Nuclear Magnetic Resonance Spectroscopy 100%
  • Phase Composition 100%
  • Nuclear Magnetic Resonance 50%

• Unusual intermolecular “through-space” J couplings in P–Se heterocycles

  Sanz Camacho, P., Athukorala Arachchige, K. S., Slawin, A. M. Z., Green, T. F. G., Yates, J. R., Dawson, D. M., Woollins, J. D. & Ashbrook, S. E., 20 May 2015, In: Journal of the American Chemical Society. 137, 19, p. 6172-6175 4 p.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

  • Heterocyclic Compound 100%
  • NMR Spectrum 50%
  • Solid-State NMR 50%
  • Covalent Bond 50%
  • Naphthalene 50%

• 2014

  Calculating NMR parameters in aluminophosphates: evaluation of dispersion correction schemes

  Sneddon, S., Dawson, D. M., Pickard, C. J. & Ashbrook, S. E., Feb 2014, In: Physical Chemistry Chemical Physics. 16, 6, p. 2660-2673 14 p.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

  • Density 100%
  • Nuclear Magnetic Resonance 100%
  • Aluminophosphates 100%
  • NMR Spectroscopy 100%
  • Density Functional Theory 100%

• Efficient amplitude-modulated pulses for triple- to single-quantum coherence conversion in MQMAS NMR

  Colaux, H., Dawson, D. M. & Ashbrook, S. E., 21 Jul 2014, In: Journal of Physical Chemistry A. 118, 31, p. 6018-25 8 p.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

  • NMR Spectroscopy 100%
  • Nuclear Magnetic Resonance 100%
  • NMR Spectrum 50%
  • Quadrupolar Nuclei 50%
  • Composite Pulse 50%

• Investigating Relationships between the Crystal Structure and ³¹P Isotropic Chemical Shifts in Calcined Aluminophosphates

  Dawson, D. M. & Ashbrook, S. E., 2014, In: Journal of Physical Chemistry C. 118, 40, p. 23285-23296 12 p.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

  • Crystal Structure 100%
  • Chemical Shift 100%
  • Aluminophosphates 100%
  • Density Functional Theory 100%
  • NMR Spectrum 40%

• Mixed-metal MIL-100(Sc,M) (M=Al, Cr, Fe) for Lewis acid catalysis and tandem C−C bond formation and alcohol oxidation

  Mitchell, L., Williamson, P., Ehrlichova, B., Anderson, A. E., Seymour, V. R., Ashbrook, S. E., Acerbi, N., Daniels, L., Walton, R., Clarke, M. L. & Wright, P. A., 5 Dec 2014, In: Chemistry - A European Journal. 20, 51, p. 17185-17197 14 p.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

  • Acid Catalysis 100%
  • Lewis Acid 100%
  • formation 100%
  • Powder X-Ray Diffractometry 50%
  • Nanoparticle 50%

• 2013

  Application of NMR crystallography to the determination of the mechanism of charge-balancing in organocation-templated AlPO STA-2

  Seymour, V. R., Eschenroeder, E. C. V., Jimenez-Castro, M., Wright, P. A. & Ashbrook, S. E., 21 Nov 2013, In: CrystEngComm. 43, p. 8668-8679 12 p.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

  • NMR Spectroscopy 100%
  • Hydroxyl 100%
  • Crystallography 100%
  • Micro Porosity 40%
  • Hydroxyl Group 40%

• Structural study of La_1-xY_xScO₃, combining neutron diffraction, solid-state NMR, and first-principles DFT calculations

  Johnston, K. E., Mitchell, M., Blanc, F., Lightfoot, P. & Ashbrook, S. E., 7 Feb 2013, In: Journal of Physical Chemistry C. 117, 5, p. 2252-2265 14 p.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

  • NMR Spectrum 100%
  • Solid-State NMR 100%
  • First Principle 100%
  • Neutron Diffraction 100%
  • Density Functional Theory 100%

• Unusual Phase Behavior in the Piezoelectric Perovskite System, Li_xNa_1-xNbO₃

  Peel, M., Ashbrook, S. E. & Lightfoot, P., 5 Aug 2013, In: Inorganic Chemistry. 52, 15, p. 8872-8880 9 p.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

  • Ferroelectric Material 100%
  • Powder Neutron Diffraction 100%
  • Powder X-Ray Diffraction 100%
  • Nuclear Magnetic Resonance Spectroscopy 100%
  • Piezoelectricity 100%

• 2012

  A Multinuclear Solid-State NMR Study of Templated and Calcined Chabazite-Type GaPO-34

  Amri, M., Ashbrook, S. E., Dawson, D. M., Griffin, J. M., Walton, R. I. & Wimperis, S., 19 Jul 2012, In: Journal of Physical Chemistry C. 116, 28, p. 15048-15057 10 p.

  Research output: Contribution to journal › Article › peer-review

  • Solid-State NMR 100%
  • Mugineic Acid 100%
  • Chabazite 100%
  • NMR Spectrum 75%
  • NMR Spectroscopy 75%

• High-resolution solid-state ¹³C NMR spectroscopy of the paramagnetic metal-organic frameworks, STAM-1 and HKUST-1

  Dawson, D. M., Jamieson, L. E., Mohideen, M. I. H., McKinlay, A. C., Smellie, I. A., Cadou, R., Keddie, N. S., Morris, R. E. & Ashbrook, S. E., Nov 2012, In: Physical Chemistry Chemical Physics. 15, 3, p. 919-929 11 p.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

  • Metal Organic Framework 100%
  • 13C NMR Spectroscopy 100%
  • NMR Spectrum 33%
  • NMR Spectroscopy 16%
  • Relaxation 16%

• Ionothermal ¹⁷O enrichment of oxides using microlitre quantities of labelled water

  Griffin, J. M., Clark, L., Seymour, V. R., Aldous, D. W., Dawson, D. M., Iuga, D., Morris, R. E. & Ashbrook, S. E., Jul 2012, In: Chemical Science. 3, 7, p. 2293-2300

  Research output: Contribution to journal › Article › peer-review

  • NMR Spectrum 100%
  • Oxide 100%
  • Aluminophosphates 66%
  • NMR Spectroscopy 33%
  • Solid-State NMR 33%

• Synthesis and crystal chemistry of the STA-12 family of metal N,N '-piperazinebis(methylenephosphonate)s and applications of STA-12(Ni) in the separation of gases

  Wharmby, M. T., Pearce, G. M., Mowat, J. P. S., Griffin, J. M., Ashbrook, S. E., Wright, P. A., Schilling, L.-H., Lieb, A., Stock, N., Chavan, S., Bordiga, S., Garcia, E., Pirngruber, G. D., Vreeke, M. & Gora, L., 15 Jul 2012, In: Microporous and Mesoporous Materials. 157, p. 3-17 15 p.

  Research output: Contribution to journal › Article › peer-review

  • Phosphonate 100%
  • Structure Determination 100%
  • Alkane 100%
  • Divalent 100%
  • Metal Ion 100%