Polyhedron, Journal Year: 2024, Volume and Issue: unknown, P. 117229 - 117229
Published: Sept. 1, 2024
Language: Английский
Polyhedron, Journal Year: 2024, Volume and Issue: unknown, P. 117229 - 117229
Published: Sept. 1, 2024
Language: Английский
Colloids and Surfaces A Physicochemical and Engineering Aspects, Journal Year: 2024, Volume and Issue: 703, P. 135201 - 135201
Published: Aug. 27, 2024
Language: Английский
Citations
9Journal of the American Chemical Society, Journal Year: 2025, Volume and Issue: unknown
Published: Jan. 17, 2025
We present the synthesis, structural analysis, and remarkable reactivity of first carbon nanohoop that fully incorporates ferrocene in macrocyclic backbone. The high strain imposed on by curved structure enables unprecedented photochemical this otherwise photochemically inert metallocene complex. Visible light activation triggers a ring-opening structure, dissociating Fe–cyclopentadienyl bonds presence 1,10-phenanthroline. This process uncages Fe2+ ions captured form [Fe(phen)3]2+ complex chemical yield can operate efficiently water-rich solvent with green excitation. measured quantum yields formation show embedding into strained boosts its photoreactivity 3 orders magnitude compared to an unstrained macrocycle or itself. Our data suggest dissociation occurs intercepting photoexcited triplet state nucleophilic external ligand. strategy portrayed work proposes new, tunable analogous metallamacrocycles be achieved spatial temporal control, which will aid abet development responsive materials for metal ion delivery supramolecular, organometallic, polymer chemistry.
Language: Английский
Citations
1Journal of Molecular Structure, Journal Year: 2024, Volume and Issue: 1312, P. 138584 - 138584
Published: May 9, 2024
Language: Английский
Citations
5Journal of Organometallic Chemistry, Journal Year: 2024, Volume and Issue: 1017, P. 123284 - 123284
Published: July 24, 2024
Language: Английский
Citations
5Sustainable Chemistry and Pharmacy, Journal Year: 2024, Volume and Issue: 40, P. 101630 - 101630
Published: June 2, 2024
Language: Английский
Citations
3The Journal of Physical Chemistry A, Journal Year: 2024, Volume and Issue: 128(28), P. 5816 - 5831
Published: July 4, 2024
We present an efficient implementation of multireference algebraic diagrammatic construction theory (MR-ADC) for simulating core-ionized states and X-ray photoelectron spectra (XPS). Taking advantage spin adaptation, automatic code generation, density fitting, our can perform calculations molecules with more than 1500 molecular orbitals, incorporating static dynamic correlation in the ground excited electronic states. demonstrate capabilities MR-ADC methods by XPS substituted ferrocene complexes azobenzene isomers. For these molecules, computed using extended second-order method (MR-ADC(2)-X) are a very good agreement available experimental results. further show that be used as tool interpreting or predicting results time-resolved measurements core ionization along its photoisomerization, including signatures minimum energy conical intersection. This work is first series publications reporting implementations methods.
Language: Английский
Citations
3Journal of Molecular Liquids, Journal Year: 2025, Volume and Issue: unknown, P. 127313 - 127313
Published: March 1, 2025
Language: Английский
Citations
0Polyhedron, Journal Year: 2025, Volume and Issue: unknown, P. 117516 - 117516
Published: March 1, 2025
Language: Английский
Citations
0Journal of Molecular Structure, Journal Year: 2025, Volume and Issue: unknown, P. 142145 - 142145
Published: March 1, 2025
Citations
0Tetrahedron, Journal Year: 2025, Volume and Issue: unknown, P. 134633 - 134633
Published: April 1, 2025
Language: Английский
Citations
0