Compounds of s-Metals with Spin-Labeled Nitrophenol

Мұқаба

Дәйексөз келтіру

Толық мәтін

Ашық рұқсат Ашық рұқсат
Рұқсат жабық Рұқсат берілді
Рұқсат жабық Рұқсат ақылы немесе тек жазылушылар үшін

Аннотация

A series of paramagnetic salts of s-elements (Li, Na, K, Rb, Cs) with deprotonated nitroxide radical, 2-(2-hydroxy-5-nitrophenyl)-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazol-1-oxyl 3-oxide (L), were synthesized and isolated as crystals. According to X-ray diffraction data, these compounds are polymers of different dimensionality (CCDC nos. 2342497–2342506). As indicated by the results of quantum chemical calculations and magnetic measurements, weak antiferromagnetic exchange interactions predominate in the paramagnetic salts, with the interaction energy decreasing with increasing radius of the alkali metal ion.

Толық мәтін

Рұқсат жабық

Авторлар туралы

O. Kuznetsova

International Tomography Center of the Siberian Branch of the Russian Academy of Sciences

Хат алмасуға жауапты Автор.
Email: bus@tomo.nsc.ru
Ресей, Novosibirsk

G. Romanenko

International Tomography Center of the Siberian Branch of the Russian Academy of Sciences

Email: bus@tomo.nsc.ru
Ресей, Novosibirsk

P. Chernavin

International Tomography Center of the Siberian Branch of the Russian Academy of Sciences

Email: bus@tomo.nsc.ru
Ресей, Novosibirsk

G. Letyagin

International Tomography Center of the Siberian Branch of the Russian Academy of Sciences

Email: bus@tomo.nsc.ru
Ресей, Novosibirsk

A. Bogomyakov

International Tomography Center of the Siberian Branch of the Russian Academy of Sciences

Email: bus@tomo.nsc.ru
Ресей, Novosibirsk

Әдебиет тізімі

  1. Stable Radicals: Fundamentals and Applied Aspects of Odd‐Electron Compounds / Ed. Hicks R.G., Chichester (UK): John Wiley & Sons, Ltd., 2010.
  2. Wang, Y., Frasconi, M., Stoddart, J.F. // ACS Cent. Sci. 2017. V. 3. P. 927. doi: 10.1021/acscentsci.7b00219
  3. Volodarsky, L.B. Reznikov, V.A., Ovcharenko, V.I. Synthetic Chemistry of Stable Nitroxides. CRC Press, 2017. doi: 10.1201/9780203710159
  4. Tretyakov E.V, Ovcharenko V.I. // Russ. Chem. Rev. 2009. V. 78. P. 971. doi: 10.1070/RC2009v078n11ABEH004093
  5. Likhtenshtein G.I. Nitroxides. Brief History, Fundamentals, and Recent Developments. Springer Series in Materials Science. Cham: Springer International Publishing, 2020. V. 292. doi: 10.1007/978-3-030-34822-9
  6. Ovcharenko V., Bagryanskaya E. // Spin-Crossover Materials / Ed. Halcrow M.A. Oxford (UK): John Wiley & Sons Ltd., 2013. P. 239.
  7. Demir S., Jeon I.-R., Long J.R., Harris T.D. // Coord. Chem. Rev. 2015. V. 289–290. P. 149. doi: 10.1016/j.ccr.2014.10.012
  8. Luneau, D. // Eur. J. Inorg. Chem. 2020. V. 2020. № 7. Р. 597. doi: 10.1002/ejic.201901210
  9. Meng X., Shi W. // Coord. Chem. Rev. 2019. V. 378. Р. 134. doi: 10.1016/j.ccr.2018.02.002
  10. Calancea S., Carrella L., Mocanu T. et al. // Eur. J. Inorg. Chem. 2021. V. 2021. № 6. P. 567. doi: 10.1002/ejic.202000954
  11. Răducă M., Martins D.O.T.A., Spinu C.A. et al. // Eur. J. Inorg. Chem. 2022. V. 202 2. № 16. Art. e202200128. doi: 10.1002/ejic.202200128
  12. Vaz M.G.F. // Coord. Chem. Rev. 2021. V. 427. P. 213611. doi: 10.1016/j.ccr.2020.213611
  13. Ovcharenko V., Kuznetsova O., Fursova E. et al. // Inorg. Chem. 2014. V. 53. P. 10033. doi: 10.1021/ic501787m
  14. Ovcharenko V., Kuznetsova O., Fursova E. et al. // Crystals. 2015. V. 5. P. 634. doi: 10.3390/cryst5040634
  15. Ovcharenko V., Kuznetsova O., Fursova E. et al. // Inorg. Chem. 2017. V. 56. P. 14567. doi: 10.1021/acs.inorgchem.7b02308
  16. Kuznetsova O.V.. Fursova E.Y.. Romanenko G.V. et al. // Russ. Chem. Bull. 2016. V. 65. P. 1167. doi: 10.1007/s11172-016-1432-x
  17. Blinou D.O., Zorina-Tikhonova E.N., Voronina J.K. et al. // Cryst. Growth Des. 2023. V. 23. P. 5571. doi: 10.1021/acs.cgd.3c00201
  18. Bazhina E.S., Shmelev M.A., Kiskin M.A., Eremenko I.L. // Russ. J. Coord. Chem. 2021. V. 47. P. 186. doi: 10.1134/S1070328421030015
  19. Fokin S., Letyagin G.A., Romanenko G.V. et al. // Russ. Chem. Bull. 2018. V. 67. P. 61. doi: 10.1007/s11172-018-2038-2
  20. Inoue K., Iwamura H. // Chem. Phys. Lett. 1993. V. 207. P. 551. doi: 10.1016/0009-2614(93)89046-K
  21. Ovcharenko V.I., Sheremetev A.B., Strizhenko K.V. et al. // Mendeleev Commun. 2021. V. 31. P. 784. doi: 10.1016/j.mencom.2021.11.005
  22. Ovcharenko V.I., Fokin S.V., Sheremetev A.B. et al. // J. Struct. Chem. 2022, V. 63. P. 1697. doi: 10.1134/S0022476622100158
  23. Her J.-H., Stephens P.W., Davidson R.A. et al. // J. Am. Chem. Soc. 2013. V. 135. P. 18060. doi: 10.1021/ja410818e
  24. Groom C.R., Bruno I.J., Lightfoot M.P., Ward S.C. // Acta Crystallogr. B. 2016. V. 72. P. 171. doi: 10.1107/S2052520616003954
  25. Tretyakov E.V., Eltsov I.V., Fokin S.V. et al. // Polyhedron. 2003. V. 22. P. 2499. doi: 10.1016/S0277-5387(03)00228-6
  26. Krause L., Herbst-Irmer R., Sheldrick G.M., Stalke D. // J. Appl. Crystallogr. 2015. V. 48. P. 3, doi: 10.1107/S1600576714022985
  27. Sheldrick G.M. // Acta Crystallogr. A. 2015. V. 71. P. 3. doi: 10.1107/S2053273314026370
  28. Sheldrick G.M. // Acta Crystallogr. C. 2015. V. 71. P. 3. doi: 10.1107/S2053229614024218
  29. Chilton N.F., Anderson R.P., Turner L.D. et al. // J. Comput. Chem. 2013. V. 34. № 13. P. 1164. doi: 10.1002/jcc.23234
  30. Neese F. // WIREs Comput. Mol. Sci. 2022. V.12. № 5. Art e1606. doi: 10.1002/wcms.1606
  31. Becke A.D. // Phys. Rev. A. 1988 V. 38. P. 3098. doi: 10.1103/PhysRevA.38.3098
  32. Lee C., Yang W., Parr R.G. // Phys. Rev. B. 1988. V. 37. P.785. doi: 10.1103/PhysRevB.37.785
  33. Weigend F. // Phys. Chem. Chem. Phys. 2006. V. 8. P. 1057. doi: 10.1039/b515623h
  34. Shoji M., Koizumi K., Kitagawa Y. et al. // Phys. Lett. 2006. V. 432. P. 343. doi: 10.1016/j.cplett.2006.10.023

Қосымша файлдар

Қосымша файлдар
Әрекет
1. JATS XML
Жүктеу
2. Scheme 1. Structure of nitronylnitroxyl radicals LR and HL

Жүктеу (36KB)
Метадеректер
3. Fig. 1. Fragment of the LiL structure and the arrangement of ribbons in the crystal. Hereinafter, the carbon skeleton is shown in grey, O in red, N in blue, and Li in pink. The H atoms and CH3 groups of HL are not shown

Жүктеу (204KB)
Метадеректер
4. Fig. 2. Structure of [Li(H2O)(L)]-I (a) and [Li(H2O)(L)]-II (b) molecules and fragments of structures with the shortest contacts ONO...ONO (c, I) and (d, II)

Жүктеу (340KB)
Метадеректер
5. Fig. 3. Fragment of NaL structure (a) and layer (b)

Жүктеу (148KB)
Метадеректер
6. Fig. 4. Encirclement of atom K, anion L and a fragment of the layer in the KL structure

Жүктеу (163KB)
Метадеректер
7. Fig. 5. Environment L, atoms K and fragments of [KL(CH3CN)] (a), [KL(MeOH)] (b) and [KL(H2O)] (c) structures

Жүктеу (817KB)
Метадеректер
8. Fig. 6. Surrounding L, Rb atoms and fragment of the structure [RbL(H2O)]

Жүктеу (364KB)
Метадеректер
9. Fig. 7. Surrounding L, Cs atoms and fragment of CsL structure

Жүктеу (206KB)
Метадеректер
10. Fig. 8. Experimental dependences µeff(T) and fragments of the structure with the most effective channels of exchange interactions for LiL (a) and NaL (b)

Жүктеу (309KB)
Метадеректер
11. Fig. 9. Experimental dependences µeff(T) for [KL(H2O)] (a) and [RbL(H2O)] (b) and fragment of [KL(H2O)] structure (c) with the most effective channels of exchange interactions

Жүктеу (203KB)
Метадеректер
12. Fig. 10. Spin density distribution (surfaces labelled 0.0025 e/Å3) in the anion radicals L in the compounds LiL (a), NaL (b), [KL(H2O)] (c) and [RbL(H2O)] (d). The spin density with positive sign is shown in orange and with negative sign in purple. The H atoms were not shown

Жүктеу (189KB)
Метадеректер

© Российская академия наук, 2024