Crystalline patterns and band structure dimensionality in a series of conducting hybrids associating amide-functionalized EDT-TTF π-donors with the isosteric octahedral anions [FeNO(CN)<inf>5</inf>]2- and [M(CN) <inf>6</inf>]3- (M = Co, Fe)

L. V. Zorina; S. S. Khasanov; S. V. Simonov; R. P. Shibaeva; L. A. Kushch; L. I. Buravov; E. B. Yagubskii; S. Baudron; C. Mézière; P. Batail; E. Canadell; P. Auban-Senzier

doi:10.1016/j.synthmet.2005.08.010

Crystalline patterns and band structure dimensionality in a series of conducting hybrids associating amide-functionalized EDT-TTF π-donors with the isosteric octahedral anions [FeNO(CN)<inf>5</inf>]2- and [M(CN) <inf>6</inf>]3- (M = Co, Fe)

L. V. Zorina, S. S. Khasanov, S. V. Simonov, R. P. Shibaeva, L. A. Kushch, L. I. Buravov, E. B. Yagubskii, S. Baudron, C. Mézière, P. Batail, E. Canadell, P. Auban-Senzier

Research output: Contribution to journal › Article › Research › peer-review

4 Citations (Scopus)

Abstract

Four new radical cation salts based on the amide functionalized EDT-TTF organic donors EDT-TTF-CONH2 (D1) and EDT-TTF-(CONH2) 2 (D2), α′-(D1)4[FeNO(CN)5] (1), α′-(D1)4[Co(CN)6] (2), β-(D1) 6[Fe(CN)6] (3) and (D2)4[FeNO(CN) 5]NB (4), have been synthesized and characterized by X-ray single crystal diffraction experiments, band structure calculations and electrical resistivity measurements. Functionalized organic donors are remarkable for the ability to form cation⋯cation and cation⋯anion type hydrogen bonds which can effectively direct the crystal architecture of molecular conductors. The structural analysis reveals a well-developed hydrogen bond network in the crystals investigated. (D1)2-dimers or (D2)n-extended zigzag chains of donors connected through functional groups are found to be stable structural motifs in 1-4. Remarkably, salts 1 and 2 are isostructural despite the presence of anions of different charge (-2 and -3, respectively) and the inherent difference in the degree of charge transfer has a clear effect on the transport properties: σRT(2)/σRT(1) = 300. Salt 3 differs from 1 and 2 both in the stoichiometry and packing of the conducting organic layer. Crystals of 4 exhibit a superstructure with the incommensurate vector q = ±(0.5, 0.3, 0.2). © 2005 Elsevier B.V. All rights reserved.

Original language	English
Pages (from-to)	527-538
Journal	Synthetic Metals
Volume	155
Issue number	3
DOIs	https://doi.org/10.1016/j.synthmet.2005.08.010
Publication status	Published - 15 Dec 2005

Keywords

Band structure
Low-dimensional organic conductors
X-ray diffraction

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Zorina, L. V., Khasanov, S. S., Simonov, S. V., Shibaeva, R. P., Kushch, L. A., Buravov, L. I., Yagubskii, E. B., Baudron, S., Mézière, C., Batail, P., Canadell, E., & Auban-Senzier, P. (2005). Crystalline patterns and band structure dimensionality in a series of conducting hybrids associating amide-functionalized EDT-TTF π-donors with the isosteric octahedral anions [FeNO(CN)<inf>5</inf>]2- and [M(CN) <inf>6</inf>]3- (M = Co, Fe). Synthetic Metals, 155(3), 527-538. https://doi.org/10.1016/j.synthmet.2005.08.010

Zorina, L. V. ; Khasanov, S. S. ; Simonov, S. V. ; Shibaeva, R. P. ; Kushch, L. A. ; Buravov, L. I. ; Yagubskii, E. B. ; Baudron, S. ; Mézière, C. ; Batail, P. ; Canadell, E. ; Auban-Senzier, P. / Crystalline patterns and band structure dimensionality in a series of conducting hybrids associating amide-functionalized EDT-TTF π-donors with the isosteric octahedral anions [FeNO(CN)<inf>5</inf>]2- and [M(CN) <inf>6</inf>]3- (M = Co, Fe). In: Synthetic Metals. 2005 ; Vol. 155, No. 3. pp. 527-538.

@article{5732cf05049f467a86b8a61db7d4172f,

title = "Crystalline patterns and band structure dimensionality in a series of conducting hybrids associating amide-functionalized EDT-TTF π-donors with the isosteric octahedral anions [FeNO(CN)5]2- and [M(CN) 6]3- (M = Co, Fe)",

abstract = "Four new radical cation salts based on the amide functionalized EDT-TTF organic donors EDT-TTF-CONH2 (D1) and EDT-TTF-(CONH2) 2 (D2), α′-(D1)4[FeNO(CN)5] (1), α′-(D1)4[Co(CN)6] (2), β-(D1) 6[Fe(CN)6] (3) and (D2)4[FeNO(CN) 5]NB (4), have been synthesized and characterized by X-ray single crystal diffraction experiments, band structure calculations and electrical resistivity measurements. Functionalized organic donors are remarkable for the ability to form cation⋯cation and cation⋯anion type hydrogen bonds which can effectively direct the crystal architecture of molecular conductors. The structural analysis reveals a well-developed hydrogen bond network in the crystals investigated. (D1)2-dimers or (D2)n-extended zigzag chains of donors connected through functional groups are found to be stable structural motifs in 1-4. Remarkably, salts 1 and 2 are isostructural despite the presence of anions of different charge (-2 and -3, respectively) and the inherent difference in the degree of charge transfer has a clear effect on the transport properties: σRT(2)/σRT(1) = 300. Salt 3 differs from 1 and 2 both in the stoichiometry and packing of the conducting organic layer. Crystals of 4 exhibit a superstructure with the incommensurate vector q = ±(0.5, 0.3, 0.2). {\textcopyright} 2005 Elsevier B.V. All rights reserved.",

keywords = "Band structure, Low-dimensional organic conductors, X-ray diffraction",

author = "Zorina, {L. V.} and Khasanov, {S. S.} and Simonov, {S. V.} and Shibaeva, {R. P.} and Kushch, {L. A.} and Buravov, {L. I.} and Yagubskii, {E. B.} and S. Baudron and C. M{\'e}zi{\`e}re and P. Batail and E. Canadell and P. Auban-Senzier",

year = "2005",

month = dec,

day = "15",

doi = "10.1016/j.synthmet.2005.08.010",

language = "English",

volume = "155",

pages = "527--538",

journal = "Synthetic Metals",

issn = "0379-6779",

publisher = "Elsevier BV",

number = "3",

}

Zorina, LV, Khasanov, SS, Simonov, SV, Shibaeva, RP, Kushch, LA, Buravov, LI, Yagubskii, EB, Baudron, S, Mézière, C, Batail, P, Canadell, E & Auban-Senzier, P 2005, 'Crystalline patterns and band structure dimensionality in a series of conducting hybrids associating amide-functionalized EDT-TTF π-donors with the isosteric octahedral anions [FeNO(CN)<inf>5</inf>]2- and [M(CN) <inf>6</inf>]3- (M = Co, Fe)', Synthetic Metals, vol. 155, no. 3, pp. 527-538. https://doi.org/10.1016/j.synthmet.2005.08.010

Crystalline patterns and band structure dimensionality in a series of conducting hybrids associating amide-functionalized EDT-TTF π-donors with the isosteric octahedral anions [FeNO(CN)<inf>5</inf>]2- and [M(CN) <inf>6</inf>]3- (M = Co, Fe). / Zorina, L. V.; Khasanov, S. S.; Simonov, S. V.; Shibaeva, R. P.; Kushch, L. A.; Buravov, L. I.; Yagubskii, E. B.; Baudron, S.; Mézière, C.; Batail, P.; Canadell, E.; Auban-Senzier, P.

In: Synthetic Metals, Vol. 155, No. 3, 15.12.2005, p. 527-538.

Research output: Contribution to journal › Article › Research › peer-review

TY - JOUR

T1 - Crystalline patterns and band structure dimensionality in a series of conducting hybrids associating amide-functionalized EDT-TTF π-donors with the isosteric octahedral anions [FeNO(CN)5]2- and [M(CN) 6]3- (M = Co, Fe)

AU - Zorina, L. V.

AU - Khasanov, S. S.

AU - Simonov, S. V.

AU - Shibaeva, R. P.

AU - Kushch, L. A.

AU - Buravov, L. I.

AU - Yagubskii, E. B.

AU - Baudron, S.

AU - Mézière, C.

AU - Batail, P.

AU - Canadell, E.

AU - Auban-Senzier, P.

PY - 2005/12/15

Y1 - 2005/12/15

N2 - Four new radical cation salts based on the amide functionalized EDT-TTF organic donors EDT-TTF-CONH2 (D1) and EDT-TTF-(CONH2) 2 (D2), α′-(D1)4[FeNO(CN)5] (1), α′-(D1)4[Co(CN)6] (2), β-(D1) 6[Fe(CN)6] (3) and (D2)4[FeNO(CN) 5]NB (4), have been synthesized and characterized by X-ray single crystal diffraction experiments, band structure calculations and electrical resistivity measurements. Functionalized organic donors are remarkable for the ability to form cation⋯cation and cation⋯anion type hydrogen bonds which can effectively direct the crystal architecture of molecular conductors. The structural analysis reveals a well-developed hydrogen bond network in the crystals investigated. (D1)2-dimers or (D2)n-extended zigzag chains of donors connected through functional groups are found to be stable structural motifs in 1-4. Remarkably, salts 1 and 2 are isostructural despite the presence of anions of different charge (-2 and -3, respectively) and the inherent difference in the degree of charge transfer has a clear effect on the transport properties: σRT(2)/σRT(1) = 300. Salt 3 differs from 1 and 2 both in the stoichiometry and packing of the conducting organic layer. Crystals of 4 exhibit a superstructure with the incommensurate vector q = ±(0.5, 0.3, 0.2). © 2005 Elsevier B.V. All rights reserved.

AB - Four new radical cation salts based on the amide functionalized EDT-TTF organic donors EDT-TTF-CONH2 (D1) and EDT-TTF-(CONH2) 2 (D2), α′-(D1)4[FeNO(CN)5] (1), α′-(D1)4[Co(CN)6] (2), β-(D1) 6[Fe(CN)6] (3) and (D2)4[FeNO(CN) 5]NB (4), have been synthesized and characterized by X-ray single crystal diffraction experiments, band structure calculations and electrical resistivity measurements. Functionalized organic donors are remarkable for the ability to form cation⋯cation and cation⋯anion type hydrogen bonds which can effectively direct the crystal architecture of molecular conductors. The structural analysis reveals a well-developed hydrogen bond network in the crystals investigated. (D1)2-dimers or (D2)n-extended zigzag chains of donors connected through functional groups are found to be stable structural motifs in 1-4. Remarkably, salts 1 and 2 are isostructural despite the presence of anions of different charge (-2 and -3, respectively) and the inherent difference in the degree of charge transfer has a clear effect on the transport properties: σRT(2)/σRT(1) = 300. Salt 3 differs from 1 and 2 both in the stoichiometry and packing of the conducting organic layer. Crystals of 4 exhibit a superstructure with the incommensurate vector q = ±(0.5, 0.3, 0.2). © 2005 Elsevier B.V. All rights reserved.

KW - Band structure

KW - Low-dimensional organic conductors

KW - X-ray diffraction

U2 - 10.1016/j.synthmet.2005.08.010

DO - 10.1016/j.synthmet.2005.08.010

M3 - Article

VL - 155

SP - 527

EP - 538

JO - Synthetic Metals

JF - Synthetic Metals

SN - 0379-6779

IS - 3

ER -

Zorina LV, Khasanov SS, Simonov SV, Shibaeva RP, Kushch LA, Buravov LI et al. Crystalline patterns and band structure dimensionality in a series of conducting hybrids associating amide-functionalized EDT-TTF π-donors with the isosteric octahedral anions [FeNO(CN)<inf>5</inf>]2- and [M(CN) <inf>6</inf>]3- (M = Co, Fe). Synthetic Metals. 2005 Dec 15;155(3):527-538. https://doi.org/10.1016/j.synthmet.2005.08.010

Crystalline patterns and band structure dimensionality in a series of conducting hybrids associating amide-functionalized EDT-TTF π-donors with the isosteric octahedral anions [FeNO(CN)<inf>5</inf>]<sup>2-</sup> and [M(CN) <inf>6</inf>]<sup>3-</sup> (M = Co, Fe)

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