0000000001298907

AUTHOR

Dmitry S. Yufit

showing 25 related works from this author

Interplay between spin crossover and proton migration along short strong hydrogen bonds

2021

The iron(ii) salt [Fe(bpp)2](isonicNO)2·HisonicNO·5H2O (1) (bpp = 2,6-bis(pyrazol-3-yl)pyridine; isonicNO = isonicotinate N-oxide anion) undergoes a partial spin crossover (SCO) with symmetry breaking at T1 = 167 K to a mixed-spin phase (50% high-spin (HS), 50% low-spin (LS)) that is metastable below T2 = 116 K. Annealing the compound at lower temperatures results in a 100% LS phase that differs from the initial HS phase in the formation of a hydrogen bond (HB) between two water molecules (O4W and O5W) of crystallisation. Neutron crystallography experiments have also evidenced a proton displacement inside a short strong hydrogen bond (SSHB) between two isonicNO anions. Both phenomena can al…

ChemistryCrystallographyMaterials scienceSpin trappingHydrogen bondSpin crossoverMetastabilityExcited stateMoleculeGeneral ChemistryActivation energyLIESSTChemical Science
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A reversible hydrogen‐bond isomerization triggered by an abrupt spin crossover near room temperature.

2020

The spin crossover salt [Fe(bpp) 2 ](isonicNO) 2 ·2.4H 2 O ( 1 ·2.4H 2 O) (bpp = 2,6‐bis(pyrazol‐3‐yl)pyridine; isonicNO = isonicotinate N‐oxide anion) exhibits a very abrupt spin crossover at T 1 /2 = 274.4 K. This triggers a supramolecular linkage (H‐bond) isomerization that responds reversibly towards light irradiation or temperature change. Isotopic effects in the thermomagnetic behaviour reveal the importance of hydrogen bonds in defining the magnetic state. Further, the title compound can be reversibly dehydrated to afford 1 , a material that also exhibits spin crossover coupled to H‐bond isomerization, leading to strong kinetic effects in the thermomagnetic properties.

Hydrogen bondChemistryOrganic ChemistrySupramolecular chemistryGeneral ChemistryThermomagnetic convectionKinetic energyCatalysisIonCrystallographychemistry.chemical_compoundSpin crossoverPyridineIsomerization
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Structure and stability of hexadentate complexes of ligands based on AAZTA for efficient PET labelling with gallium-68

2012

Pre-organised tricarboxylate ligands based on 6-amino-perhydro-1,4-diazepine bind (68)Ga rapidly and selectively in acetate buffer at pH 4 to 7, forming kinetically stable complexes suitable for use in PET imaging.

ChemistryMetals and Alloyschemistry.chemical_elementGeneral ChemistryPet imagingTricarboxylateCombinatorial chemistryCatalysisSurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialsLabellingMaterials ChemistryCeramics and CompositesOrganic chemistryGalliumChem. Commun.
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CCDC 1984964: Experimental Crystal Structure Determination

2020

Related Article: Verónica Jornet-Mollá, Carlos Giménez-Saiz, Laura Cañadillas-Delgado, Dmitry S. Yufit, Judith A. K. Howard, Francisco M. Romero|2021|Chemical Science|12|1038|doi:10.1039/D0SC04918B

Space GroupCrystallographyCrystal SystemCrystal Structurebis(26-bis(1H-pyrazol-3-yl)pyridine)-iron(ii) bis(1-oxopyridine-4-carboxylate) 1-oxopyridine-4-carboxylic acid pentahydrateCell ParametersExperimental 3D Coordinates
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CCDC 1984962: Experimental Crystal Structure Determination

2020

Related Article: Verónica Jornet-Mollá, Carlos Giménez-Saiz, Laura Cañadillas-Delgado, Dmitry S. Yufit, Judith A. K. Howard, Francisco M. Romero|2021|Chemical Science|12|1038|doi:10.1039/D0SC04918B

Space GroupCrystallographyCrystal SystemCrystal Structurebis(26-bis(1H-pyrazol-3-yl)pyridine)-iron(ii) bis(1-oxopyridine-4-carboxylate) 1-oxopyridine-4-carboxylic acid pentahydrateCell ParametersExperimental 3D Coordinates
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CCDC 1973926: Experimental Crystal Structure Determination

2020

Related Article: Verónica Jornet-Mollá, Carlos Giménez-Saiz, Dmitry S. Yufit, Judith A. K. Howard, Francisco M. Romero|2020|Chem.-Eur.J.|27|740|doi:10.1002/chem.202003654

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parametersbis(26-bis(1H-pyrazol-3-yl)pyridine)-iron bis(4-carboxylatopyridine N-oxide) hydrateExperimental 3D Coordinates
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CCDC 1973938: Experimental Crystal Structure Determination

2020

Related Article: Verónica Jornet-Mollá, Carlos Giménez-Saiz, Dmitry S. Yufit, Judith A. K. Howard, Francisco M. Romero|2020|Chem.-Eur.J.|27|740|doi:10.1002/chem.202003654

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parametersbis(26-bis(1H-pyrazol-3-yl)pyridine)-iron bis(4-carboxylatopyridine N-oxide) hydrateExperimental 3D Coordinates
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CCDC 1984958: Experimental Crystal Structure Determination

2020

Related Article: Verónica Jornet-Mollá, Carlos Giménez-Saiz, Laura Cañadillas-Delgado, Dmitry S. Yufit, Judith A. K. Howard, Francisco M. Romero|2021|Chemical Science|12|1038|doi:10.1039/D0SC04918B

Space GroupCrystallographyCrystal SystemCrystal Structurebis(26-bis(1H-pyrazol-3-yl)pyridine)-iron(ii) bis(1-oxopyridine-4-carboxylate) 1-oxopyridine-4-carboxylic acid pentahydrateCell ParametersExperimental 3D Coordinates
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CCDC 2013419: Experimental Crystal Structure Determination

2020

Related Article: Verónica Jornet-Mollá, Carlos Giménez-Saiz, Dmitry S. Yufit, Judith A. K. Howard, Francisco M. Romero|2020|Chem.-Eur.J.|27|740|doi:10.1002/chem.202003654

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parametersbis[26-bis(1H-pyrazol-3-yl)pyridine]-iron(ii) bis(4-(carboxylate)pyridine-N-oxide)Experimental 3D Coordinates
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CCDC 1973924: Experimental Crystal Structure Determination

2020

Related Article: Verónica Jornet-Mollá, Carlos Giménez-Saiz, Dmitry S. Yufit, Judith A. K. Howard, Francisco M. Romero|2020|Chem.-Eur.J.|27|740|doi:10.1002/chem.202003654

Space GroupCrystallographyCrystal Systembis[26-bis(1H-pyrazol-3-yl)pyridine]-iron(ii) bis(4-(carboxylato)pyridine N-oxide) hydrateCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1973940: Experimental Crystal Structure Determination

2020

Related Article: Verónica Jornet-Mollá, Carlos Giménez-Saiz, Dmitry S. Yufit, Judith A. K. Howard, Francisco M. Romero|2020|Chem.-Eur.J.|27|740|doi:10.1002/chem.202003654

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parametersbis(26-bis(1H-pyrazol-3-yl)pyridine)-iron bis(4-carboxylatopyridine N-oxide) hydrateExperimental 3D Coordinates
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CCDC 1984961: Experimental Crystal Structure Determination

2020

Related Article: Verónica Jornet-Mollá, Carlos Giménez-Saiz, Laura Cañadillas-Delgado, Dmitry S. Yufit, Judith A. K. Howard, Francisco M. Romero|2021|Chemical Science|12|1038|doi:10.1039/D0SC04918B

Space GroupCrystallographyCrystal SystemCrystal Structurebis(26-bis(1H-pyrazol-3-yl)pyridine)-iron(ii) bis(1-oxopyridine-4-carboxylate) 1-oxopyridine-4-carboxylic acid pentahydrateCell ParametersExperimental 3D Coordinates
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CCDC 1973936: Experimental Crystal Structure Determination

2020

Related Article: Verónica Jornet-Mollá, Carlos Giménez-Saiz, Dmitry S. Yufit, Judith A. K. Howard, Francisco M. Romero|2020|Chem.-Eur.J.|27|740|doi:10.1002/chem.202003654

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parametersbis(26-bis(1H-pyrazol-3-yl)pyridine)-iron bis(4-carboxylatopyridine N-oxide) hydrateExperimental 3D Coordinates
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CCDC 1832988: Experimental Crystal Structure Determination

2020

Related Article: Verónica Jornet-Mollá, Carlos Giménez-Saiz, Laura Cañadillas-Delgado, Dmitry S. Yufit, Judith A. K. Howard, Francisco M. Romero|2021|Chemical Science|12|1038|doi:10.1039/D0SC04918B

Space GroupCrystallographyCrystal SystemCrystal Structurebis(26-bis(1H-pyrazol-3-yl)pyridine)-iron(ii) bis(1-oxopyridine-4-carboxylate) 1-oxopyridine-4-carboxylic acid pentahydrateCell ParametersExperimental 3D Coordinates
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CCDC 1973941: Experimental Crystal Structure Determination

2020

Related Article: Verónica Jornet-Mollá, Carlos Giménez-Saiz, Dmitry S. Yufit, Judith A. K. Howard, Francisco M. Romero|2020|Chem.-Eur.J.|27|740|doi:10.1002/chem.202003654

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parametersbis(26-bis(1H-pyrazol-3-yl)pyridine)-iron bis(4-carboxylatopyridine N-oxide) hydrateExperimental 3D Coordinates
researchProduct

CCDC 1984957: Experimental Crystal Structure Determination

2020

Related Article: Verónica Jornet-Mollá, Carlos Giménez-Saiz, Laura Cañadillas-Delgado, Dmitry S. Yufit, Judith A. K. Howard, Francisco M. Romero|2021|Chemical Science|12|1038|doi:10.1039/D0SC04918B

Space GroupCrystallographyCrystal SystemCrystal Structurebis(26-bis(1H-pyrazol-3-yl)pyridine)-iron(ii) bis(1-oxopyridine-4-carboxylate) 1-oxopyridine-4-carboxylic acid pentahydrateCell ParametersExperimental 3D Coordinates
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CCDC 1974500: Experimental Crystal Structure Determination

2020

Related Article: Verónica Jornet-Mollá, Carlos Giménez-Saiz, Dmitry S. Yufit, Judith A. K. Howard, Francisco M. Romero|2020|Chem.-Eur.J.|27|740|doi:10.1002/chem.202003654

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parametersbis[26-bis(1H-pyrazol-3-yl)pyridine]-iron(ii) bis(4-(carboxylate)pyridine-N-oxide)Experimental 3D Coordinates
researchProduct

CCDC 1832962: Experimental Crystal Structure Determination

2020

Related Article: Verónica Jornet-Mollá, Carlos Giménez-Saiz, Laura Cañadillas-Delgado, Dmitry S. Yufit, Judith A. K. Howard, Francisco M. Romero|2021|Chemical Science|12|1038|doi:10.1039/D0SC04918B

Space GroupCrystallographyCrystal SystemCrystal Structurebis(26-bis(1H-pyrazol-3-yl)pyridine)-iron(ii) bis(1-oxopyridine-4-carboxylate) 1-oxopyridine-4-carboxylic acid pentahydrateCell ParametersExperimental 3D Coordinates
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CCDC 1984960: Experimental Crystal Structure Determination

2020

Related Article: Verónica Jornet-Mollá, Carlos Giménez-Saiz, Laura Cañadillas-Delgado, Dmitry S. Yufit, Judith A. K. Howard, Francisco M. Romero|2021|Chemical Science|12|1038|doi:10.1039/D0SC04918B

Space GroupCrystallographyCrystal SystemCrystal Structurebis(26-bis(1H-pyrazol-3-yl)pyridine)-iron(ii) bis(1-oxopyridine-4-carboxylate) 1-oxopyridine-4-carboxylic acid pentahydrateCell ParametersExperimental 3D Coordinates
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CCDC 1973928: Experimental Crystal Structure Determination

2020

Related Article: Verónica Jornet-Mollá, Carlos Giménez-Saiz, Dmitry S. Yufit, Judith A. K. Howard, Francisco M. Romero|2020|Chem.-Eur.J.|27|740|doi:10.1002/chem.202003654

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parametersbis(26-bis(1H-pyrazol-3-yl)pyridine)-iron bis(4-carboxylatopyridine N-oxide) hydrateExperimental 3D Coordinates
researchProduct

CCDC 1984963: Experimental Crystal Structure Determination

2020

Related Article: Verónica Jornet-Mollá, Carlos Giménez-Saiz, Laura Cañadillas-Delgado, Dmitry S. Yufit, Judith A. K. Howard, Francisco M. Romero|2021|Chemical Science|12|1038|doi:10.1039/D0SC04918B

Space GroupCrystallographyCrystal SystemCrystal Structurebis(26-bis(1H-pyrazol-3-yl)pyridine)-iron(ii) bis(1-oxopyridine-4-carboxylate) 1-oxopyridine-4-carboxylic acid pentahydrateCell ParametersExperimental 3D Coordinates
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CCDC 1973929: Experimental Crystal Structure Determination

2020

Related Article: Verónica Jornet-Mollá, Carlos Giménez-Saiz, Dmitry S. Yufit, Judith A. K. Howard, Francisco M. Romero|2020|Chem.-Eur.J.|27|740|doi:10.1002/chem.202003654

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parametersbis(26-bis(1H-pyrazol-3-yl)pyridine)-iron bis(4-carboxylatopyridine N-oxide) hydrateExperimental 3D Coordinates
researchProduct

CCDC 1984959: Experimental Crystal Structure Determination

2020

Related Article: Verónica Jornet-Mollá, Carlos Giménez-Saiz, Laura Cañadillas-Delgado, Dmitry S. Yufit, Judith A. K. Howard, Francisco M. Romero|2021|Chemical Science|12|1038|doi:10.1039/D0SC04918B

Space GroupCrystallographyCrystal SystemCrystal Structurebis(26-bis(1H-pyrazol-3-yl)pyridine)-iron(ii) bis(1-oxopyridine-4-carboxylate) 1-oxopyridine-4-carboxylic acid pentahydrateCell ParametersExperimental 3D Coordinates
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CCDC 1873604: Experimental Crystal Structure Determination

2020

Related Article: Verónica Jornet-Mollá, Carlos Giménez-Saiz, Laura Cañadillas-Delgado, Dmitry S. Yufit, Judith A. K. Howard, Francisco M. Romero|2021|Chemical Science|12|1038|doi:10.1039/D0SC04918B

Space GroupCrystallographyCrystal SystemCrystal Structurebis(26-bis(1H-pyrazol-3-yl)pyridine)-iron(ii) bis(1-oxopyridine-4-carboxylate) 1-oxopyridine-4-carboxylic acid pentahydrateCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1873602: Experimental Crystal Structure Determination

2020

Related Article: Verónica Jornet-Mollá, Carlos Giménez-Saiz, Laura Cañadillas-Delgado, Dmitry S. Yufit, Judith A. K. Howard, Francisco M. Romero|2021|Chemical Science|12|1038|doi:10.1039/D0SC04918B

Space GroupCrystallographyCrystal SystemCrystal Structurebis(26-bis(1H-pyrazol-3-yl)pyridine)-iron(ii) bis(1-oxopyridine-4-carboxylate) 1-oxopyridine-4-carboxylic acid pentahydrateCell ParametersExperimental 3D Coordinates
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