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Vol 478, No 2 (2018)

Chemistry

Magnetic Properties of Acenes and Their o-Quinone Derivatives: Computer Simulation

Starikova A.A., Starikov A.G., Minyaev R.M., Boldyrev A.I., Minkin V.I.

Abstract

Quantum chemical study (DFT UB3LYP/6-311++G(d,p)) of the structure and properties of acenes functionalized with two o-benzoquinone groups and their complexes with sodium cations has been performed. An increase in the number of fused rings has been shown to result in the stabilization of biradicaloid state of acenes and the switching of the character of exchange interactions between redox-active moieties from antiferromagnetic to ferromagnetic. The obtained results allow one to consider o-quinone acene derivatives as a basis for designing magnetoactive compounds.

Doklady Chemistry. 2018;478(2):21-25
pages 21-25 views
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Photo- and Ionochromism of Benzoxazolyl-Substituted Spirobenzopyrans

Rostovtseva I.A., Voloshin N.A., Solov’eva E.V., Shepelenko K.E., Chernyshev A.V., Metelitsa A.V., Minkin V.I.

Abstract

8-Benzoxazolyl-6-formyl-substituted spirobenzopyrans with different acceptor groups in the 5'- position of the indoline moiety have been synthesized. Novel spiropyrans exhibit photochromic properties in an acetone solution at room temperature and form intensely colored complexes with heavy metal cations.

Doklady Chemistry. 2018;478(2):26-30
pages 26-30 views
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(Eng)
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