Sn(IV) complexes with bi- and tridentate phenoxazin-1-one ligands: Synthesis, structure and magnetic properties

Тип публикации: статья из журнала

Год издания: 2014

Идентификатор DOI: 10.1016/j.ica.2014.04.001

Ключевые слова: DFT calculation, Exchange interaction, Phenoxazin-1-one, Sn(IV) complexes, X-ray crystal structure

Аннотация: Two six-coordinate Sn(IV) complexes, bis-[2,4,6,8-tetra-(tert-butyl)-9- oxyphenoxazinyl-1-onolate]Sn(IV) 4 and bis-[2,4,6,8-tetra-(tert-butyl)- phenoxazinyl-1-onolate]Sn(IV) dichloride 5 with redox-active tridentate 2,4,6,8-tetra(tert-butyl)-9-hydroxyphenoxazin-1-one 2 and bidentate 1-H-1-oxo-2,4,6,8-tetra(tert-butyl) phenoxazine-1-one 3 ligands were synthesized and their molecular structures determined with the use of X-ray crystallography. Electronic structures of the complexes were investigated with DFT B3LYP*/6-311++G(d,p) calculations, SQUID magnetometry and EPR spectroscopy and assigned to the biradical Sn(IV)(CatNSQ)2 and Sn(IV)(ISQ)2Cl2 electromeric forms, where (CatNSQ) 2- and (ISQ)- are radical-anions formed by the ligands 2 and 3, correspondingly. Weak ferromagnetic coupling of the two paramagnetic centers was established in complex Sn(IV)(CatNSQ)2 with ligands 2, whereas in the same type complex formed by ligands 3 the coupling of the paramagnetic centers bears weak antiferromagnetic character. The calculated exchange coupling constants J for 4 and 5 (5 cm-1 and -8 cm -1, respectively) are in sufficiently good agreement with the values obtained from analysis of ?eff(T) dependences (3.5 cm-1 and -1 cm-1). © 2014 Elsevier B.V. All rights reserved.

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Издание

Журнал: Inorganica Chimica Acta

Выпуск журнала: Vol. 418

Номера страниц: 66-72

ISSN журнала: 00201693

Авторы

  • Romanenko G.V. (International Tomography Center, Siberian Branch, Russian Academy of Sciences, 3a Institutskaya St., 630090 Novosibirsk, Russian Federation)
  • Ivakhnenko E.P. (Institute of Physical and Organic Chemistry, Southern Federal University, 194/2 Stachka St., 344090 Rostov on Don, Russian Federation)
  • Minkin V.I. (Institute of Physical and Organic Chemistry, Southern Federal University, 194/2 Stachka St., 344090 Rostov on Don, Russian Federation, Southern Scientific Center, Russian Academy of Sciences, 41 Chehova Ave., 344006 Rostov on Don, Russian Fe)
  • Starikov A.G. (Southern Scientific Center, Russian Academy of Sciences, 41 Chehova Ave., 344006 Rostov on Don, Russian Federation)
  • Bogomyakov A.S. (International Tomography Center, Siberian Branch, Russian Academy of Sciences, 3a Institutskaya St., 630090 Novosibirsk, Russian Federation)
  • Veber S.L. (International Tomography Center, Siberian Branch, Russian Academy of Sciences, 3a Institutskaya St., 630090 Novosibirsk, Russian Federation)

Вхождение в базы данных

  • Scopus (цитирований 11)

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