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1

Fe2 and Fe4 Clusters Encapsulated in Vacant Polyoxotungstates: Hydrothermal Synthesis, Magnetic and Electrochemical Properties, and DFT Calculations

Céline Pichon, Anne Dolbecq, Pierre Mialane, Jérôme Marrot, Eric Rivière, Monika Goral, Monika Zynek, Timothy McCormac, Serguei A. Borshch, Ekaterina Zueva, Francis Sécheresse

Journal:

Chemistry - A European Journal

Year:

2008

Language:

english

File:

PDF, 474 KB

english, 2008

2

First Dicyanamide-Bridged Spin-Crossover Coordination Polymer: Synthesis, Structural, Magnetic, and Spectroscopic Studies

Caroline Genre, Erwann Jeanneau, Azzedine Bousseksou, Dominique Luneau, Serguei A. Borshch, Galina S. Matouzenko

Journal:

Chemistry - A European Journal

Year:

2008

Language:

english

File:

PDF, 454 KB

english, 2008

3

Spin Crossover in a Family of Iron(II) Complexes with Hexadentate ligands: Ligand Strain as a Factor Determining the Transition Temperature

Galina S. Matouzenko, Serguei A. Borshch, Erwann Jeanneau, Mark B. Bushuev

Journal:

Chemistry - A European Journal

Year:

2009

Language:

english

File:

PDF, 460 KB

english, 2009

4

Ligand Strain and the Nature of Spin Crossover in Binuclear Complexes: Two-Step Spin Crossover in a 4,4′-Bipyridine-Bridged Iron(II) Complex [{Fe(dpia)(NCS)2}2(4,4′-bpy)] (dpia=di(2-picolyl)amine; 4,4′-bpy=4,4′-bipyridine)

Alexander Yu. Verat, Nawel Ould-Moussa, Erwann Jeanneau, Boris Le Guennic, Azzedine Bousseksou, Serguei A. Borshch, Galina S. Matouzenko

Journal:

Chemistry - A European Journal

Year:

2009

Language:

english

File:

PDF, 741 KB

english, 2009

5

Exchange Coupling of Paramagnetic Ions in a Polyoxometalate Matrix: Density Functional Study of Diiron(III) Substituted γ-Silicotungstates.

Ekaterina M. Zueva, Henry Chermette, Serguei A. Borshch

Journal:

Year:

2004

File:

PDF, 51 KB

2004

6

The Jahn–Teller Effect. By Isaac B. Bersuker.

Serguei A. Borshch

Journal:

Year:

2006

Language:

english

File:

PDF, 41 KB

english, 2006

7

Tetra- and Decanuclear Iron(II) Complexes of Thiacalixarene Macrocycles: Synthesis, Structure, Mössbauer Spectroscopy and Magnetic Properties

Cédric Desroches, Guillaume Pilet, Petra Á. Szilágyi, G. Molnár, Serguei A. Borshch, Azzedine Bousseksou, Stéphane Parola, Dominique Luneau

Journal:

European Journal of Inorganic Chemistry

Year:

2006

Language:

english

File:

PDF, 178 KB

english, 2006

8

A Two-Step Spin Transition and Order–Disorder Phenomena in the Mononuclear Compound [Fe(Hpy-DAPP)](BF4)2

Galina S. Matouzenko, Dominique Luneau, Gábor Molnár, Nawell Ould-Moussa, Samir Zein, Serguei A. Borshch, Azzedine Bousseksou, Frédéric Averseng

Journal:

European Journal of Inorganic Chemistry

Year:

2006

Language:

english

File:

PDF, 317 KB

english, 2006

9

Ferromagnetic Coupling in a Mixed-Valence Hexavanadate Core: Quantum-Chemical Forecast

Ekaterina M. Zueva, Serguei A. Borshch, Maria M. Petrova, Henry Chermette, Andrey M. Kuznetsov

Journal:

European Journal of Inorganic Chemistry

Year:

2007

Language:

english

File:

PDF, 185 KB

english, 2007

10

Topology of Spin-Crossover Polymers and Mutual Influence of Ligands

Boris Le Guennic, Galina S. Matouzenko, Serguei A. Borshch

Journal:

European Journal of Inorganic Chemistry

Year:

2008

Language:

english

File:

PDF, 177 KB

english, 2008

11

Quantum-chemical studies of the spin transition complex [Fe(DAPP)(abpt)](ClO4)2

Samir Zein, Galina S. Matouzenko, Serguei A. Borshch

Journal:

Chemical Physics Letters

Year:

2004

Language:

english

File:

PDF, 286 KB

english, 2004

12

Quantum chemical studies of spin crossover polymers: Periodic DFT approach

Yurii Chumakov, Galina S. Matouzenko, Serguei A. Borshch, Andrei Postnikov

Journal:

Year:

2009

Language:

english

File:

PDF, 270 KB

english, 2009

13

Exchange interactions in oxovanadium phosphates: towards the understanding of the magnetic patterns

Sébastien Petit, Serguei A. Borshch, Vincent Robert

Journal:

Journal of Solid State Chemistry

Year:

2003

Language:

english

File:

PDF, 766 KB

english, 2003

14

Effect of iron counter-ions on the reducibility of the Keggin type molybdophosphoric heteropolyacid: Part II. A theoretical study

Serguei A Borshch, Hélène Duclusaud, Jean-Marc M Millet

Journal:

Applied Catalysis A: General

Year:

2000

Language:

english

File:

PDF, 146 KB

english, 2000

15

Electron Localization versus Delocalization and Ferromagnetic Coupling in Mixed Valence Polyoxometalates

Serguei A. Borshch, Ekaterina M. Zueva

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2006

Language:

english

File:

PDF, 208 KB

english, 2006

16

A Mixed-Valence Polyoxovanadate(III,IV) Cluster with a Calixarene Cap Exhibiting Ferromagnetic V(III)−V(IV) Interactions

Aronica, Christophe, Chastanet, Guillaume, Zueva, Ekaterina, Borshch, Serguei A., Clemente-Juan, Juan M., Luneau, Dominique

Journal:

Journal of the American Chemical Society

Year:

2008

Language:

english

File:

PDF, 168 KB

english, 2008

17

Importance of a multiconfigurational description for molecular junctions

Martin Vérot, Serguei A. Borshch, Vincent Robert

Journal:

Chemical Physics Letters

Year:

2012

Language:

english

File:

PDF, 579 KB

english, 2012

18

Spin crossover behavior in a family of iron(ii) zigzag chain coordination polymers

Matouzenko, Galina S., Perrin, Monique, Le Guennic, Boris, Genre, Caroline, Moln?r, G?bor, Bousseksou, Azzedine, Borshch, Serguei A.

Journal:

Dalton Transactions

Year:

2007

Language:

english

File:

PDF, 510 KB

english, 2007

19

Assessment of the exchange-correlation functionals for the physical description of spin transition phenomena by density functional theory methods: All the same?

Zein, Samir, Borshch, Serguei A., Fleurat-Lessard, Paul, Casida, Mark E., Chermette, Henry

Journal:

The Journal of Chemical Physics

Year:

2007

Language:

english

File:

PDF, 483 KB

english, 2007

20

Ligand strain and conformations in a family of Fe(ii) spin crossover hexadentate complexes involving the 2-pyridylmethyl-amino moiety: DFT modelling

Matouzenko, Galina S., Borshch, Serguei A., Schünemann, Volker, Wolny, Juliusz A.

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.50 MB

english, 2013

21

Spin filtering in molecular junction: Magnetoresistance evaluation from wave-function calculations

Vérot, Martin, Borshch, Serguei A., Robert, Vincent

Journal:

The Journal of Chemical Physics

Year:

2013

Language:

english

File:

PDF, 639 KB

english, 2013

22

Spin Crossover in Tetranuclear Cyanide-Bridged Iron(II) Square Complexes: A Theoretical Study

Zueva, Ekaterina M., Ryabikh, Elmira R., Kuznetsov, Andrey M., Borshch, Serguei A.

Journal:

Inorganic Chemistry

Year:

2011

Language:

english

File:

PDF, 2.04 MB

english, 2011

23

Theoretical Analysis of Spin Crossover in Iron(II) [2 × 2] Molecular Grids

Zueva, Ekaterina M., Ryabikh, Elmira R., Borshch, Serguei A.

Journal:

Inorganic Chemistry

Year:

2011

Language:

english

File:

PDF, 1.85 MB

english, 2011

24

Synthesis and characterizations of cyclic octanuclear mixed-valence vanadium(iv,v) clusters with polyoxometalate counterions

Lisnard, Laurent, Dolbecq, Anne, Mialane, Pierre, Marrot, J?r?me, Rivi?re, Eric, Borshch, Serguei A., Petit, S?bastien, Robert, Vincent, Duboc, Carole, McCormac, Timothy, S?cheresse, Francis

Journal:

Dalton Transactions

Year:

2006

Language:

english

File:

PDF, 348 KB

english, 2006

25

Theoretical Study of Spin-State and Redox Multistability in an Iron [2×2] Grid Complex

Borshch, Serguei A., Zueva, Ekaterina M.

Journal:

European Journal of Inorganic Chemistry

Year:

2013

Language:

english

File:

PDF, 424 KB

english, 2013

26

Electronic Structure of Diamagnetic and Paramagnetic Hexanuclear Chalcohalide Clusters of Rhenium

Deluzet, André, Duclusaud, Hélène, Sautet, Philippe, Borshch, Serguei A.

Journal:

Inorganic Chemistry

Year:

2002

Language:

english

File:

PDF, 154 KB

english, 2002

27

Spin Crossover Phenomenon Accompanying Order−Disorder Phase Transition in the Ligand of [Fe II (DAPP)(abpt)](ClO 4 ) 2 Compound (DAPP = Bis(3-aminopropyl)(2-pyridylmethyl)amine, abpt = 4-Amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole) and Its Successive Self-Grinding Effect †

Miyazaki, Yuji, Nakamoto, Tadahiro, Ikeuchi, Satoaki, Saito, Kazuya, Inaba, Akira, Sorai, Michio, Tojo, Takeo, Atake, Tooru, Matouzenko, Galina S., Zein, Samir, Borshch, Serguei A.

Journal:

Journal of Physical Chemistry B

Year:

2007

Language:

english

File:

PDF, 1012 KB

english, 2007

28

Cooperative Spin Crossover and Order−Disorder Phenomena in a Mononuclear Compound [Fe(DAPP)(abpt)](ClO 4 ) 2 [DAPP = [Bis(3-aminopropyl)(2-pyridylmethyl)amine], abpt = 4-Amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole]

Matouzenko, Galina S., Bousseksou, Azzedine, Borshch, Serguei A., Perrin, Monique, Zein, Samir, Salmon, Lionel, Molnar, Gabor, Lecocq, Sylvain

Journal:

Inorganic Chemistry

Year:

2004

Language:

english

File:

PDF, 177 KB

english, 2004

29

Electron Redistribution in Pt 2 (dta) 4 I: From Building Blocks to the Infinite Chain. A Theoretical Investigation of Possible Peierls Distortions

Robert, Vincent, Petit, Sébastien, Borshch, Serguei A.

Journal:

Inorganic Chemistry

Year:

1999

Language:

english

File:

PDF, 121 KB

english, 1999

30

Double-Exchange and Vibronic Coupling in Mixed-Valence Systems. Electronic Structure of [Fe4S4]3+ Clusters in High-Potential Iron Protein and Related Models

Bominaar, Emile L., Borshch. Serguei A.,, Girerd, Jean-Jacques

Journal:

Journal of the American Chemical Society

Year:

1994

Language:

english

File:

PDF, 3.87 MB

english, 1994

31

Double-Exchange and Vibronic Coupling in Mixed-Valence Systems. Electronic Structure of [Fe4S4]3+ Clusters in High-Potential Iron Protein and Related Models. [Erratum to document cited in CA121:3500]

Bominaar, Emile L., Borshch, Serguei A., Girerd, Jean-Jacques

Journal:

Journal of the American Chemical Society

Year:

1994

Language:

english

File:

PDF, 155 KB

english, 1994

32

Energetics of Binuclear Spin Transition Complexes

Zein, Samir, Borshch, Serguei A.

Journal:

Journal of the American Chemical Society

Year:

2005

Language:

english

File:

PDF, 129 KB

english, 2005

33

Quantum Chemical Study of Three Polymorphs of the Mononuclear Spin-Transition Complex [Fe(DPPA)(NCS) 2 ]

Zein, Samir, Matouzenko, Galina S., Borshch, Serguei A.

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 171 KB

english, 2005

34

Double exchange and vibronic coupling in mixed valence systems. Origin of the broken-symmetry ground state of [Fe3S4]0 cores in proteins and models

Borshch, Serguei A., Bominaar, Emile L., Blondin, Genevieve, Girerd, Jean Jacques

Journal:

Journal of the American Chemical Society

Year:

1993

Language:

english

File:

PDF, 2.77 MB

english, 1993

35

Electron Delocalization and Magnetic State of Doubly-Reduced Polyoxometalates

Duclusaud, Hélène, Borshch, Serguei A.

Journal:

Journal of the American Chemical Society

Year:

2001

Language:

english

File:

PDF, 121 KB

english, 2001

36

Exchange Coupling of Paramagnetic Ions in a Polyoxometalate Matrix: Density Functional Study of Diiron(III) Substituted γ-Silicotungstates

Zueva, Ekaterina M., Chermette, Henry, Borshch, Serguei A.

Journal:

Inorganic Chemistry

Year:

2004

Language:

english

File:

PDF, 788 KB

english, 2004

37

Exchange Interactions in the Three Phases of Vanadyl Pyrophosphate (VO) 2 P 2 O 7

Petit, Sébastien, Borshch, Serguei A., Robert, Vincent

Journal:

Journal of the American Chemical Society

Year:

2002

Language:

english

File:

PDF, 104 KB

english, 2002

38

Exchange Interactions and Theoretical Analysis of 31 P NMR Spectra in VO(HPO 4 )·0.5H 2 O

Petit, Sébastien, Borshch, Serguei A., Robert, Vincent

Journal:

Inorganic Chemistry

Year:

2004

Language:

english

File:

PDF, 162 KB

english, 2004

39

Tetranuclear Manganese(II) Complexes of Thiacalixarene Macrocycles with Trigonal Prismatic Six-Coordinate Geometries: Synthesis, Structure, and Magnetic Properties

Desroches, Cédric, Pilet, Guillaume, Borshch, Serguei A., Parola, Stéphane, Luneau, Dominique

Journal:

Inorganic Chemistry

Year:

2005

Language:

english

File:

PDF, 641 KB

english, 2005

40

Ab I nitio Simulation of Paramagnetic NMR Spectra: the 31 P NMR in Oxovanadium Phosphates

Petit, Sébastien, Borshch, Serguei A., Robert, Vincent

Journal:

Journal of the American Chemical Society

Year:

2003

Language:

english

File:

PDF, 271 KB

english, 2003

41

Iron−Molybdenum Electron Delocalization in Substituted Keggin Polyoxoanions

Duclusaud, Hélène, Borshch, Serguei A.

Journal:

Inorganic Chemistry

Year:

1999

Language:

english

File:

PDF, 251 KB

english, 1999

42

Investigation of the Two-Step Spin Crossover Complex Fe[5-NO 2 -sal-(1,4,7,10)] Using Density Functional Theory

Guillon, Thomas, Salmon, Lionel, Molnár, Gábor, Zein, Samir, Borshch, Serguei, Bousseksou, Azzedine

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 169 KB

english, 2007

43

Double Exchange and Vibronic Coupling in Mixed-Valence Systems. Electronic Structure of Exchange-Coupled Siroheme-[Fe4S4]2+ Chromophore in Oxidized E. Coli Sulfite Reductase

Bominaar, Emile L., Hu, Zhengguo, Muenck, Eckard, Girerd, Jean-Jacques, Borshch, Serguei A.

Journal:

Journal of the American Chemical Society

Year:

1995

Language:

english

File:

PDF, 2.97 MB

english, 1995

44

Prussian Blue Analogue CsFe[Cr(CN) 6 ] as a Matrix for the Fe(II) Spin-Crossover

Le Guennic, Boris, Borshch, Serguei, Robert, Vincent

Journal:

Inorganic Chemistry

Year:

2007

Language:

english

File:

PDF, 228 KB

english, 2007

45

Comparison of polyoxo and polyoxothiometallate rings: a theoretical approach

Jamet, H�l�ne, Borshch, Serguei A.

Journal:

New Journal of Chemistry

Year:

2004

Language:

english

File:

PDF, 496 KB

english, 2004

46

EPR study of the magnetic states of a mixed-valence VIV4VV2 alkoxypolyoxovanadium cluster

Augustyniak-Jablokow, Maria A., Borshch, Serguei A., Daniel, Charles, Hartl, Hans, Yablokov, Yurii V.

Journal:

New Journal of Chemistry

Year:

2005

Language:

english

File:

PDF, 726 KB

english, 2005

47

Double exchange in a mixed-valent octanuclear iron cluster, [Fe 8 (μ 4 -O) 4 (μ-4-Cl-pz) 12 Cl 4 ] −

Zueva, Ekaterina M., Herchel, Radovan, Borshch, Serguei A., Govor, Evgen V., Sameera, W. M. C., McDonald, Ross, Singleton, John, Krzystek, Jurek, Trávníček, Zdeněk, Sanakis, Yiannis, McGrady, John E.,

Journal:

Dalton Transactions

Year:

2014

Language:

english

File:

PDF, 1.04 MB

english, 2014

48

Magnetostructural correlations and spin model of

Lawson Daku, Latévi Max, Borshch, Serguei, Robert, Vincent, Bigot, Bernard

Journal:

Physical Review B

Year:

2001

Language:

english

File:

PDF, 270 KB

english, 2001

49

Spin-Crossover Iron(II) Coordination Polymer with Zigzag Chain Structure

Matouzenko, Galina S., Molnar, Gabor, Bréfuel, Nicolas, Perrin, Monique, Bousseksou, Azzedine, Borshch, Serguei A.

Journal:

Chemistry of Materials

Year:

2003

Language:

english

File:

PDF, 150 KB

english, 2003

50

[Advances in Quantum Chemistry] Volume 44 || Vibronic Interactions in High Nuclearity Clusters

Borshch, Serguei A.

Year:

2003

Language:

english

File:

PDF, 173 KB

english, 2003