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Collect. Czech. Chem. Commun. 2003, 68, 2335-2343
https://doi.org/10.1135/cccc20032335

Spin-Orbit Coupling in Biradicals. 4. Zero-Field Splitting in Triplet Nitrenes, Phosphinidenes, and Arsinidenes

Zdeněk Havlasa,*, Mojmír Kývalaa and Josef Michlb

a Institute of Organic Chemistry and Biochemistry, Academy of Sciences of Czech Republic, and Centre for Complex Molecular Systems and Biomolecules, 166 10 Prague 6, Czech Republic
b J. Heyrovský Institute of Physical Chemistry, Academy of Sciences of the Czech Republic, 182 23 Prague 8, Czech Republic

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  • Mitchell Erica C., Wolf Mark E., Turney Justin M., Schaefer Henry F.: Group 15 and 16 Nitrene‐Like Pnictinidenes. Chemistry A European J 2021, 27, 14461. <https://doi.org/10.1002/chem.202101832>
  • Misochko Eugenii Ya., Akimov Alexander V., Korchagin Denis V., Ganushevich Yulia S., Melnikov Egor A., Miluykov Vasili A.: Generation and direct EPR spectroscopic observation of triplet arylphosphinidenes: stabilisation versus internal rearrangements. Phys. Chem. Chem. Phys. 2020, 22, 27626. <https://doi.org/10.1039/D0CP05254J>
  • Wentrup Curt: Carbene und Nitrene: Aktuelle Entwicklungen in der Grundlagenchemie. Angewandte Chemie 2018, 130, 11680. <https://doi.org/10.1002/ange.201804863>
  • Wentrup Curt: Carbenes and Nitrenes: Recent Developments in Fundamental Chemistry. Angew Chem Int Ed 2018, 57, 11508. <https://doi.org/10.1002/anie.201804863>
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  • Akimov Alexander V., Ganushevich Yulia S., Korchagin Denis V., Miluykov Vasili A., Misochko Eugenii Y.: The EPR Spectrum of Triplet Mesitylphosphinidene: Reassignment and New Assignment. Angewandte Chemie 2017, 129, 8052. <https://doi.org/10.1002/ange.201703629>
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  • Sugisaki Kenji, Toyota Kazuo, Sato Kazunobu, Shiomi Daisuke, Takui Takeji: Behaviour of DFT-based approaches to the spin–orbit term of zero-field splitting tensors: a case study of metallocomplexes, MIII(acac)3 (M = V, Cr, Mn, Fe and Mo). Phys. Chem. Chem. Phys. 2017, 19, 30128. <https://doi.org/10.1039/C7CP05533A>
  • Korchagin Denis V., Akimov Alexander V., Yureva Elena A., Aldoshin Sergei M., Misochko Eugenii Ya.: Unexpected effect of substituents on the zero-field splitting of triplet phenyl nitrenes. Chemical Physics Letters 2016, 659, 234. <https://doi.org/10.1016/j.cplett.2016.07.020>
  • Sugisaki Kenji, Toyota Kazuo, Sato Kazunobu, Shiomi Daisuke, Takui Takeji: Quasi-Restricted Orbital Treatment for the Density Functional Theory Calculations of the Spin–Orbit Term of Zero-Field Splitting Tensors. J. Phys. Chem. A 2016, 120, 9857. <https://doi.org/10.1021/acs.jpca.6b10253>
  • Sugisaki Kenji, Toyota Kazuo, Sato Kazunobu, Shiomi Daisuke, Kitagawa Masahiro, Takui Takeji: An ab initio MO study of heavy atom effects on the zero-field splitting tensors of high-spin nitrenes: how the spin–orbit contributions are affected. Phys. Chem. Chem. Phys. 2014, 16, 9171. <https://doi.org/10.1039/C4CP00822G>
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  • Sugisaki Kenji, Toyota Kazuo, Sato Kazunobu, Shiomi Daisuke, Kitagawa Masahiro, Takui Takeji: Ab initio and DFT studies of the spin–orbit and spin–spin contributions to the zero-field splitting tensors of triplet nitrenes with aryl scaffolds. Phys Chem Chem Phys 2011, 13, 6970. <https://doi.org/10.1039/c0cp02809f>
  • Sugisaki Kenji, Toyota Kazuo, Sato Kazunobu, Shiomi Daisuke, Kitagawa Masahiro, Takui Takeji: Spin–Orbit Contributions in High‐Spin Nitrenes/Carbenes: A Hybrid CASSCF/MRMP2 Study of Zero‐Field Splitting Tensors. ChemPhysChem 2010, 11, 3146. <https://doi.org/10.1002/cphc.201000492>
  • Sugisaki Kenji, Toyota Kazuo, Sato Kazunobu, Shiomi Daisuke, Kitagawa Masahiro, Takui Takeji: Ab initio calculations of spin–orbit contribution to the zero-field splitting tensors of nπ∗ excited states by the CASSCF method with MRMP2 energy correction. Chemical Physics Letters 2009, 477, 369. <https://doi.org/10.1016/j.cplett.2009.07.007>
  • Bucher Götz, Borst Mark L. G., Ehlers Andreas W., Lammertsma Koop, Ceola Stefano, Huber Martina, Grote Dirk, Sander Wolfram: Infrared, UV/Vis, and W‐band EPR Spectroscopic Characterization and Photochemistry of Triplet Mesitylphosphinidene. Angewandte Chemie 2005, 117, 3353. <https://doi.org/10.1002/ange.200462862>
  • Bucher Götz, Borst Mark L. G., Ehlers Andreas W., Lammertsma Koop, Ceola Stefano, Huber Martina, Grote Dirk, Sander Wolfram: Infrared, UV/Vis, and W‐band EPR Spectroscopic Characterization and Photochemistry of Triplet Mesitylphosphinidene. Angew Chem Int Ed 2005, 44, 3289. <https://doi.org/10.1002/anie.200462862>
  • Bucher Götz, Tönshoff Christina, Nicolaides Athanassios: Photochemistry of an Azido-Functionalized Cryptand:  Controlling the Reactivity of an Extremely Long-Lived Singlet Aryl Nitrene by Complexation to Alkali Cations. J. Am. Chem. Soc. 2005, 127, 6883. <https://doi.org/10.1021/ja0447208>