All Outputs (10)

Periodic trends and hidden dynamics of magnetic properties in three series of triazacyclononane lanthanide complexes (2019)
Journal Article
Suturina, E. A., Mason, K., Botta, M., Carniato, F., Kuprov, I., Chilton, N. F., McInnes, E. J., Vonci, M., & Parker, D. (2019). Periodic trends and hidden dynamics of magnetic properties in three series of triazacyclononane lanthanide complexes. Dalton Transactions, 48(23), 8400-8409. https://doi.org/10.1039/c9dt01069f

In three structurally related series of nine-coordinate lanthanide(III) complexes (Ln = Tb, Dy, Ho, Er, Tm and Yb) based on triazacyclononane, solution NMR studies and DFT/CASSCF calculations have provided key information on the magnetic susceptibili... Read More about Periodic trends and hidden dynamics of magnetic properties in three series of triazacyclononane lanthanide complexes.

Unravelling the Complexities of Pseudocontact Shift Analysis in Lanthanide Coordination Complexes of Differing Symmetry (2019)
Journal Article
Parker, D., Suturina, E., Harnden, A., Batsanov, A., Fox, M., Mason, K., Vonci, M., McInnes, E., & Chilton, N. (2019). Unravelling the Complexities of Pseudocontact Shift Analysis in Lanthanide Coordination Complexes of Differing Symmetry. Angewandte Chemie, 131(30), 10936-10400. https://doi.org/10.1002/anie.201906031

In two closely related series of eight‐coordinate lanthanide complexes, a switch in the sign of the dominant ligand field parameter and striking variations in the sign, amplitude and orientation of the main component of the magnetic susceptibility te... Read More about Unravelling the Complexities of Pseudocontact Shift Analysis in Lanthanide Coordination Complexes of Differing Symmetry.

Sensitivity of Magnetic Anisotropy in the Solid State for Lanthanide Complexes with Small Crystal Field Splitting (2019)
Journal Article
Vonci, M., Mason, K., Neil, E. R., Yufit, D. S., McInnes, E. J., Parker, D., & Chilton, N. F. (2019). Sensitivity of Magnetic Anisotropy in the Solid State for Lanthanide Complexes with Small Crystal Field Splitting. Inorganic Chemistry, 58(9), 5733-5745. https://doi.org/10.1021/acs.inorgchem.9b00060

Knowledge of the crystal structure of a monometallic inorganic molecule is often sufficient to calculate its electronic structure and interpret its magnetic properties. Here we show that for a series of nine-coordinate lanthanide complexes based on t... Read More about Sensitivity of Magnetic Anisotropy in the Solid State for Lanthanide Complexes with Small Crystal Field Splitting.

Aggregation of Rare Earth Coordination Complexes in Solution Studied by Paramagnetic and DOSY NMR (2018)
Journal Article
Poh, A., Aguilar, J., Kenwright, A., Mason, K., & Parker, D. (2018). Aggregation of Rare Earth Coordination Complexes in Solution Studied by Paramagnetic and DOSY NMR. Chemistry - A European Journal, 24(60), 16170-16175. https://doi.org/10.1002/chem.201803766

The degree of aggregation of neutral, 9‐coordinate rare earth coordination complexes has been shown to affect their ligand field, as revealed by diffusion‐ordered NMR spectroscopy (DOSY‐NMR) measurements on Y(III) complexes, paramagnetic NMR analyses... Read More about Aggregation of Rare Earth Coordination Complexes in Solution Studied by Paramagnetic and DOSY NMR.

Exquisite sensitivity of the ligand field to solvation and donor polarisability in coordinatively saturated lanthanide complexes (2018)
Journal Article
Mason, K., Harnden, A. C., Patrick, C. W., Poh, A. W., Batsanov, A. S., Suturina, E. A., Vonci, M., McInnes, E. J., Chilton, N. F., & Parker, D. (2018). Exquisite sensitivity of the ligand field to solvation and donor polarisability in coordinatively saturated lanthanide complexes. Chemical Communications, 54(61), 8486-8489. https://doi.org/10.1039/c8cc04995e

Crystallographic, emission and NMR studies of a series of C3-symmetric, nine-coordinate substituted pyridyl triazacyclononane Yb(III) and Eu(III) complexes reveal the impact of local solvation and ligand dipolar polarisability on ligand field strengt... Read More about Exquisite sensitivity of the ligand field to solvation and donor polarisability in coordinatively saturated lanthanide complexes.

Lanthanide-induced relaxation anisotropy (2018)
Journal Article
Suturina, E. A., Mason, K., Geraldes, C. F., Chilton, N. F., Parker, D., & Kuprov, I. (2018). Lanthanide-induced relaxation anisotropy. Physical Chemistry Chemical Physics, 20(26), 17676-17686. https://doi.org/10.1039/c8cp01332b

Lanthanide ions accelerate nuclear spin relaxation by two primary mechanisms: dipolar and Curie. Both are commonly assumed to depend on the length of the lanthanide-nucleus vector, but not on its direction. Here we show experimentally that this is wr... Read More about Lanthanide-induced relaxation anisotropy.

Chiral probes for α1-AGP reporting by species-specific induced circularly polarised luminescence (2018)
Journal Article
Shuvaev, S., Suturina, E. A., Mason, K., & Parker, D. (2018). Chiral probes for α1-AGP reporting by species-specific induced circularly polarised luminescence. Chemical Science, 9(11), 2996-3003. https://doi.org/10.1039/c8sc00482j

Luminescence spectroscopy has been used to monitor the selective and reversible binding of pH sensitive, macrocyclic lanthanide complexes, [LnL1], to the serum protein α1-AGP, whose concentration can vary significantly in response to inflammatory pro... Read More about Chiral probes for α1-AGP reporting by species-specific induced circularly polarised luminescence.

Rationalization of Anomalous Pseudocontact Shifts and Their Solvent Dependence in a Series of C3-Symmetric Lanthanide Complexes (2017)
Journal Article
Vonci, M., Mason, K., Suturina, E. A., Frawley, A. T., Worswick, S. G., Kuprov, I., …Chilton, N. F. (2017). Rationalization of Anomalous Pseudocontact Shifts and Their Solvent Dependence in a Series of C3-Symmetric Lanthanide Complexes. Journal of the American Chemical Society, 139(40), 14166-14172. https://doi.org/10.1021/jacs.7b07094

Bleaney’s long-standing theory of magnetic anisotropy has been employed with some success for many decades to explain paramagnetic NMR pseudocontact shifts, and has been the subject of many subsequent approximations. Here, we present a detailed exper... Read More about Rationalization of Anomalous Pseudocontact Shifts and Their Solvent Dependence in a Series of C3-Symmetric Lanthanide Complexes.

Beyond Bleaney's Theory: Experimental and Theoretical Analysis of Periodic Trends in Lanthanide Induced Chemical Shift (2017)
Journal Article
Parker, D., Kuprov, I., Suturina, E., Mason, K., & Geraldes, C. (2017). Beyond Bleaney's Theory: Experimental and Theoretical Analysis of Periodic Trends in Lanthanide Induced Chemical Shift. Angewandte Chemie International Edition, 56(40), 12215-12218. https://doi.org/10.1002/anie.201706931

A detailed analysis of paramagnetic NMR shifts in a series of isostructural lanthanide complexes relavant to PARASHIFT contrast agents reveals unexpected trends in the magnetic susceptibility anisotropy that cannot be explained by the commonly used B... Read More about Beyond Bleaney's Theory: Experimental and Theoretical Analysis of Periodic Trends in Lanthanide Induced Chemical Shift.

PARASHIFT Probes: Solution NMR and X-ray Structural Studies of Macrocyclic Ytterbium and Yttrium Complexes (2017)
Journal Article
Mason, K., Rogers, N., Suturina, E., Kuprov, I., Aguilar, J., Batsanov, A., …Parker, D. (2017). PARASHIFT Probes: Solution NMR and X-ray Structural Studies of Macrocyclic Ytterbium and Yttrium Complexes. Inorganic Chemistry, 56(7), 4028-4038. https://doi.org/10.1021/acs.inorgchem.6b02291

Ytterbium and yttrium complexes of octadentate ligands based on 1,4,7,10-tetraazacyclododecane with a coordinated pyridyl group and either tricarboxylate (L1) or triphosphinate (L2) donors form twisted-square-antiprismatic structures. The former crys... Read More about PARASHIFT Probes: Solution NMR and X-ray Structural Studies of Macrocyclic Ytterbium and Yttrium Complexes.