Binuclear Di-o-Quinone Cobalt Complexes with the Acene Linker: Quantum Chemical Study of the Structures and Magnetic Properties

被引：11

作者：

Starikova, A. A. ^{[1
]}

Metelitsa, E. A. ^{[1
]}

Minkin, V. I. ^{[1
]}

机构：

[1] Southern Fed Univ, Inst Phys & Organ Chem, Rostov Na Donu, Russia

来源：

RUSSIAN JOURNAL OF COORDINATION CHEMISTRY | 2019年 / 45卷 / 06期

关键词：

cobalt complexes; o-quinones; acenes; spin crossover; magnetic properties; quantum chemical simulation; SPIN-CROSSOVER; METAL-COMPLEXES; ELECTRON-TRANSFER; DIOXOLENE COMPLEXES; DINUCLEAR COBALT; ADDUCTS; TRANSITION; ANTHRACENE; BEHAVIOR; MOLECULES;

D O I：

10.1134/S1070328419060095

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

The computer simulation (DFT UTPSSh/6-311++G(d,p)) of the structures and the energy and magnetic characteristics of the binuclear cobalt complexes bearing the tetraazamacrocyclic base and the di-o-quinone ligand containing as a linker the acene group is performed. Thus built molecules can undergo thermally switchable rearrangements of the spin states of the metal-centered moieties and photoinitiated single-triplet transitions of the acene linker. The possibility to control the magnetic properties of the studied coordination compounds using various external effects makes it possible to consider them as molecular switches.

引用

页码：411 / 419

页数：9

共 46 条

[1]

[Anonymous], 2013, SPIN CROSSOVER MAT P

[2]

[Anonymous], 2013, CHEMCRAFT VERSION 1

[3]

[Anonymous], 2004, SPIN CROSSOVER TRANS

[4] The larger acenes: Versatile organic semiconductors [J].

Anthony, John E. .

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2008, 47 (03) :452-483

[5] Functionalized acenes and heteroacenes for organic electronics [J].

Anthony, John E. .

CHEMICAL REVIEWS, 2006, 106 (12) :5028-5048

[6] ISOMERISM The same but different [J].

Bally, Thomas .

NATURE CHEMISTRY, 2010, 2 (03) :165-166

[7] FeIII Spin-Crossover Complexes with Photoisomerizable Ligands: Experimental and Theoretical Studies on the Ligand-Driven Light-Induced Spin Change Effect [J].

Bannwarth, Alexander ;

Schmidt, Sven Olaf ;

Peters, Gerhard ;

Soennichsen, Frank D. ;

Thimm, Wulf ;

Herges, Rainer ;

Tuczek, Felix .

EUROPEAN JOURNAL OF INORGANIC CHEMISTRY, 2012, (16) :2776-2783

[8] Tuning the physical properties of a metal complex by molecular techniques:: the design and the synthesis of the simplest cobalt-o-dioxolene complex undergoing valence tautomerism [J].

Bencini, A ;

Caneschi, A ;

Carbonera, C ;

Dei, A ;

Gatteschi, D ;

Righini, R ;

Sangregorio, C ;

Van Slageren, J .

JOURNAL OF MOLECULAR STRUCTURE, 2003, 656 (1-3) :141-154

[9] Tuning the charge distribution and photoswitchable properties of cobalt-dioxolene complexes by using molecular techniques [J].

Beni, Alessandra ;

Dei, Andrea ;

Laschi, Serena ;

Rizzitano, Mario ;

Sorace, Lorenzo .

CHEMISTRY-A EUROPEAN JOURNAL, 2008, 14 (06) :1804-1813

[10] Electronic structure of higher acenes and polyacene: The perspective developed by theoretical analyses [J].

Bettinger, Holger F. .

PURE AND APPLIED CHEMISTRY, 2010, 82 (04) :905-915

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