4 research outputs found
Spin Crossover-Assisted Modulation of Electron Transport in a Single-Crystal 3D Metal–Organic Framework
Molecule-based spin crossover (SCO) materials display
likely one
of the most spectacular switchable processes. The SCO involves reversible
changes in their physicochemical properties (i.e. optical, magnetic,
electronic, and elastic) that are coupled with the spin-state change
under an external perturbation (i.e. temperature, light, magnetic
field, or the inclusion/release of analytes). Although very promising
for their future integration into electronic devices, most SCO compounds
show two major drawbacks: (i) their intrinsic low conductance and
(ii) the unclear mechanism connecting the spin-state change and the
electrical conductivity. Herein, we report the controlled single-crystal-to-single-crystal
temperature-induced transformation in a robust metal–organic
framework, [Fe2(H0.67bdt)3]·9H2O (1), being bdt2– = 1,4-benzeneditetrazolate,
exhibiting a dynamic spin-state change concomitant with an increment
in the anisotropic electrical conductance. Compound 1 remains intact during the SCO process even after approximately a
15% volume reduction. The experimental findings are rationalized by
analyzing the electronic delocalization of the frontier states by
means of density-functional theory calculations. The results point
to a correlation between the spin-state of the iron and the electronic
conductivity of the 3D structure. In addition, the reversibility of
the process is proved
Spin Crossover-Assisted Modulation of Electron Transport in a Single-Crystal 3D Metal–Organic Framework
Molecule-based spin crossover (SCO) materials display
likely one
of the most spectacular switchable processes. The SCO involves reversible
changes in their physicochemical properties (i.e. optical, magnetic,
electronic, and elastic) that are coupled with the spin-state change
under an external perturbation (i.e. temperature, light, magnetic
field, or the inclusion/release of analytes). Although very promising
for their future integration into electronic devices, most SCO compounds
show two major drawbacks: (i) their intrinsic low conductance and
(ii) the unclear mechanism connecting the spin-state change and the
electrical conductivity. Herein, we report the controlled single-crystal-to-single-crystal
temperature-induced transformation in a robust metal–organic
framework, [Fe2(H0.67bdt)3]·9H2O (1), being bdt2– = 1,4-benzeneditetrazolate,
exhibiting a dynamic spin-state change concomitant with an increment
in the anisotropic electrical conductance. Compound 1 remains intact during the SCO process even after approximately a
15% volume reduction. The experimental findings are rationalized by
analyzing the electronic delocalization of the frontier states by
means of density-functional theory calculations. The results point
to a correlation between the spin-state of the iron and the electronic
conductivity of the 3D structure. In addition, the reversibility of
the process is proved
Spin Crossover-Assisted Modulation of Electron Transport in a Single-Crystal 3D Metal–Organic Framework
Molecule-based spin crossover (SCO) materials display
likely one
of the most spectacular switchable processes. The SCO involves reversible
changes in their physicochemical properties (i.e. optical, magnetic,
electronic, and elastic) that are coupled with the spin-state change
under an external perturbation (i.e. temperature, light, magnetic
field, or the inclusion/release of analytes). Although very promising
for their future integration into electronic devices, most SCO compounds
show two major drawbacks: (i) their intrinsic low conductance and
(ii) the unclear mechanism connecting the spin-state change and the
electrical conductivity. Herein, we report the controlled single-crystal-to-single-crystal
temperature-induced transformation in a robust metal–organic
framework, [Fe2(H0.67bdt)3]·9H2O (1), being bdt2– = 1,4-benzeneditetrazolate,
exhibiting a dynamic spin-state change concomitant with an increment
in the anisotropic electrical conductance. Compound 1 remains intact during the SCO process even after approximately a
15% volume reduction. The experimental findings are rationalized by
analyzing the electronic delocalization of the frontier states by
means of density-functional theory calculations. The results point
to a correlation between the spin-state of the iron and the electronic
conductivity of the 3D structure. In addition, the reversibility of
the process is proved
Spin Crossover-Assisted Modulation of Electron Transport in a Single-Crystal 3D Metal–Organic Framework
Molecule-based spin crossover (SCO) materials display
likely one
of the most spectacular switchable processes. The SCO involves reversible
changes in their physicochemical properties (i.e. optical, magnetic,
electronic, and elastic) that are coupled with the spin-state change
under an external perturbation (i.e. temperature, light, magnetic
field, or the inclusion/release of analytes). Although very promising
for their future integration into electronic devices, most SCO compounds
show two major drawbacks: (i) their intrinsic low conductance and
(ii) the unclear mechanism connecting the spin-state change and the
electrical conductivity. Herein, we report the controlled single-crystal-to-single-crystal
temperature-induced transformation in a robust metal–organic
framework, [Fe2(H0.67bdt)3]·9H2O (1), being bdt2– = 1,4-benzeneditetrazolate,
exhibiting a dynamic spin-state change concomitant with an increment
in the anisotropic electrical conductance. Compound 1 remains intact during the SCO process even after approximately a
15% volume reduction. The experimental findings are rationalized by
analyzing the electronic delocalization of the frontier states by
means of density-functional theory calculations. The results point
to a correlation between the spin-state of the iron and the electronic
conductivity of the 3D structure. In addition, the reversibility of
the process is proved