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Molecular squares, coordination polymers and mononuclear complexes supported by 2,4-dipyrazolyl-6H-1,3,5-triazine and 4,6-dipyrazolylpyrimidine ligands.

Capel Berdiell I, Farmiloe SE, Kulmaczewski R, Halcrow MA.

Dalton Trans. 2019 Nov 26;48(46):17310-17320. doi: 10.1039/c9dt04003j.


Supramolecular Iron Metallocubanes Exhibiting Site-Selective Thermal and Light-Induced Spin-Crossover.

Berdiell IC, Hochdörffer T, Desplanches C, Kulmaczewski R, Shahid N, Wolny JA, Warriner SL, Cespedes O, Schünemann V, Chastanet G, Halcrow MA.

J Am Chem Soc. 2019 Nov 27;141(47):18759-18770. doi: 10.1021/jacs.9b08862. Epub 2019 Nov 14.


Heterometallic Coordination Polymer Gels Supported by 2,4,6-Tris(pyrazol-1-yl)-1,3,5-triazine.

Berdiell IC, Kulak AN, Warriner SL, Halcrow MA.

ACS Omega. 2018 Dec 27;3(12):18466-18474. doi: 10.1021/acsomega.8b02508. eCollection 2018 Dec 31.


Relationship between the Molecular Structure and Switching Temperature in a Library of Spin-Crossover Molecular Materials.

Halcrow MA, Capel Berdiell I, Pask CM, Kulmaczewski R.

Inorg Chem. 2019 Aug 5;58(15):9811-9821. doi: 10.1021/acs.inorgchem.9b00843. Epub 2019 Jul 23.


Giant Barocaloric Effect at the Spin Crossover Transition of a Molecular Crystal.

Vallone SP, Tantillo AN, Dos Santos AM, Molaison JJ, Kulmaczewski R, Chapoy A, Ahmadi P, Halcrow MA, Sandeman KG.

Adv Mater. 2019 Jun;31(23):e1807334. doi: 10.1002/adma.201807334. Epub 2019 Apr 15.


Rigidification of a macrocyclic tris-catecholate scaffold leads to electronic localisation of its mixed valent redox product.

Greatorex S, Vincent KB, Baldansuren A, McInnes EJL, Patmore NJ, Sproules S, Halcrow MA.

Chem Commun (Camb). 2019 Feb 19;55(16):2281-2284. doi: 10.1039/c8cc10122a.


2,6-Bis(pyrazol-1-yl)pyridine-4-carboxylate Esters with Alkyl Chain Substituents and Their Iron(II) Complexes.

Galadzhun I, Kulmaczewski R, Cespedes O, Yamada M, Yoshinari N, Konno T, Halcrow MA.

Inorg Chem. 2018 Nov 5;57(21):13761-13771. doi: 10.1021/acs.inorgchem.8b02289. Epub 2018 Oct 17.


Interplay between Dopant Species and a Spin-Crossover Host Lattice during Light-Induced Excited-Spin-State Trapping Probed by Electron Paramagnetic Resonance Spectroscopy.

Tumanov SV, Veber SL, Greatorex S, Halcrow MA, Fedin MV.

Inorg Chem. 2018 Aug 6;57(15):8709-8713. doi: 10.1021/acs.inorgchem.8b01096. Epub 2018 Jul 11.


Silver(i) complexes of bis- and tris-(pyrazolyl)azine derivatives - dimers, coordination polymers and a pentametallic assembly.

Capel Berdiell I, Warriner SL, Halcrow MA.

Dalton Trans. 2018 Apr 17;47(15):5269-5278. doi: 10.1039/C8DT00640G.


The role of symmetry breaking in the structural trapping of light-induced excited spin states.

Kulmaczewski R, Trzop E, Kershaw Cook LJ, Collet E, Chastanet G, Halcrow MA.

Chem Commun (Camb). 2017 Dec 12;53(99):13268-13271. doi: 10.1039/c7cc07990g.


Ab Initio Ligand Field Molecular Mechanics and the Nature of Metal-Ligand π-Bonding in Fe(II) 2,6-di(pyrazol-1-yl)pyridine Spin Crossover Complexes.

Deeth RJ, Halcrow MA, Kershaw Cook LJ, Raithby PR.

Chemistry. 2018 Apr 6;24(20):5204-5212. doi: 10.1002/chem.201704558. Epub 2017 Dec 11.


An Incomplete Spin Transition Associated with a Z'=1→Z'=24 Crystallographic Symmetry Breaking.

Capel Berdiell I, Kulmaczewski R, Cespedes O, Halcrow MA.

Chemistry. 2018 Apr 6;24(20):5055-5059. doi: 10.1002/chem.201704896. Epub 2017 Nov 22.


Iron(II) Complexes of 2,4-Dipyrazolyl-1,3,5-triazine Derivatives-The Influence of Ligand Geometry on Metal Ion Spin State.

Capel Berdiell I, Kulmaczewski R, Halcrow MA.

Inorg Chem. 2017 Aug 7;56(15):8817-8828. doi: 10.1021/acs.inorgchem.7b00699. Epub 2017 Jul 12.


Spin States of Homochiral and Heterochiral Isomers of [Fe(PyBox)2 ]2+ Derivatives.

Burrows KE, McGrath SE, Kulmaczewski R, Cespedes O, Barrett SA, Halcrow MA.

Chemistry. 2017 Jul 6;23(38):9067-9075. doi: 10.1002/chem.201700820. Epub 2017 May 16.


Gradual Thermal Spin-Crossover Mediated by a Reentrant Z' = 1 → Z' = 6 → Z' = 1 Phase Transition.

Kulmaczewski R, Cespedes O, Halcrow MA.

Inorg Chem. 2017 Mar 20;56(6):3144-3148. doi: 10.1021/acs.inorgchem.7b00071. Epub 2017 Feb 28.


A Unified Treatment of the Relationship Between Ligand Substituents and Spin State in a Family of Iron(II) Complexes.

Kershaw Cook LJ, Kulmaczewski R, Mohammed R, Dudley S, Barrett SA, Little MA, Deeth RJ, Halcrow MA.

Angew Chem Int Ed Engl. 2016 Mar 18;55(13):4327-31. doi: 10.1002/anie.201600165. Epub 2016 Mar 1.


Multifrequency cw-EPR and DFT Studies of an Apparent Compressed Octahedral Cu(II) Complex.

Hall N, Orio M, Gennari M, Wills C, Molton F, Philouze C, Jameson GB, Halcrow MA, Blackman AG, Duboc C.

Inorg Chem. 2016 Feb 15;55(4):1497-504. doi: 10.1021/acs.inorgchem.5b02287. Epub 2016 Jan 27.


Different Spin-State Behaviors in Isostructural Solvates of a Molecular Iron(II) Complex.

Cook LJ, Kulmaczewski R, Cespedes O, Halcrow MA.

Chemistry. 2016 Jan 26;22(5):1789-99. doi: 10.1002/chem.201503989. Epub 2015 Dec 22.


Platinum(ii) complexes of mixed-valent radicals derived from cyclotricatechylene, a macrocyclic tris-dioxolene.

Loughrey JJ, Patmore NJ, Baldansuren A, Fielding AJ, McInnes EJL, Hardie MJ, Sproules S, Halcrow MA.

Chem Sci. 2015 Dec 1;6(12):6935-6948. doi: 10.1039/c5sc02776d. Epub 2015 Aug 20.


Unexpected Spin-Crossover and a Low-Pressure Phase Change in an Iron(II)/Dipyrazolylpyridine Complex Exhibiting a High-Spin Jahn- Teller Distortion.

Kershaw Cook LJ, Thorp-Greenwood FL, Comyn TP, Cespedes O, Chastanet G, Halcrow MA.

Inorg Chem. 2015 Jul 6;54(13):6319-30.


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