The Geometry and Structural Properties of the
                4,8,12-Trioxa-4,8,12,12c-tetrahydrodibenzo[cd,mn]pyrene System
                in the Cationic State. Structures of a Planar Organic Cation
                with Various Monovalent- and Divalent Anions.

Frederik C Krebs; Bo W. Laursen; Ib Johannsen; André Faldt; Klaus Bechgaard; Claus Schelde Jacobsen; Niels Thorup; Kamal Boubekeur

The Geometry and Structural Properties of the 4,8,12-Trioxa-4,8,12,12c-tetrahydrodibenzo[cd,mn]pyrene System in the Cationic State. Structures of a Planar Organic Cation with Various Monovalent- and Divalent Anions.

Frederik C Krebs
, Bo W. Laursen
, Ib Johannsen
, André Faldt
, Klaus Bechgaard
, Claus Schelde Jacobsen
, Niels Thorup
, Kamal Boubekeur

Risø National Laboratory
IMN

Research output: Contribution to journal › Journal article › Research › peer-review

Abstract

The geometry of the 4,8,12-trioxa-4,8,12,12c- tetrahydrodibenzo[cd,mn]pyrene system in the cationic state was established by X-ray structural resolution of the salts formed between the cationand various anions. The geometry was found to be planar for the 4,8,12-trioxa-4,8,12,12c- tetrahydrodibenzo [cd,mn]pyrenylium and 2,6,10-tri (tert-butyl)-4,8,12-trioxa-4,8,12,12c-tetrahydrodibenzo[cd,mn]pyre nylium cations with the monovalentanions I-, BF4-, PF6- AsF6-, HNO3. NO3- and CF3SO3-, and the divalent anions S2O62- and Mo6Cl142-. The salts were found to crystallize in distinct space groups following a characteristic pattern. Mixed cation-anion stacking resulted in space groups with high symmetry: Pbca in three cases and R (3) over bar c in one; a temperature study of the latter was made at ten different temperatures. The formation of dimers of anions and cations resulted in lower-symmetry space groups, mainly monoclinic (P2(1)/n, P2(1)/c and C2/c), but also P (1) over bar.

Original language	English
Journal	Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials
Volume	B55
Pages (from-to)	410-423
ISSN	2052-5192
Publication status	Published - 1999

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Krebs, F. C., Laursen, B. W., Johannsen, I., Faldt, A., Bechgaard, K., Jacobsen, C. S., Thorup, N., & Boubekeur, K. (1999). The Geometry and Structural Properties of the 4,8,12-Trioxa-4,8,12,12c-tetrahydrodibenzo[cd,mn]pyrene System in the Cationic State. Structures of a Planar Organic Cation with Various Monovalent- and Divalent Anions. Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials, B55, 410-423.

Krebs, Frederik C ; Laursen, Bo W. ; Johannsen, Ib et al. / The Geometry and Structural Properties of the 4,8,12-Trioxa-4,8,12,12c-tetrahydrodibenzo[cd,mn]pyrene System in the Cationic State. Structures of a Planar Organic Cation with Various Monovalent- and Divalent Anions. In: Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials. 1999 ; Vol. B55. pp. 410-423.

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title = "The Geometry and Structural Properties of the 4,8,12-Trioxa-4,8,12,12c-tetrahydrodibenzo[cd,mn]pyrene System in the Cationic State. Structures of a Planar Organic Cation with Various Monovalent- and Divalent Anions.",

abstract = "The geometry of the 4,8,12-trioxa-4,8,12,12c- tetrahydrodibenzo[cd,mn]pyrene system in the cationic state was established by X-ray structural resolution of the salts formed between the cationand various anions. The geometry was found to be planar for the 4,8,12-trioxa-4,8,12,12c- tetrahydrodibenzo [cd,mn]pyrenylium and 2,6,10-tri (tert-butyl)-4,8,12-trioxa-4,8,12,12c-tetrahydrodibenzo[cd,mn]pyre nylium cations with the monovalentanions I-, BF4-, PF6- AsF6-, HNO3. NO3- and CF3SO3-, and the divalent anions S2O62- and Mo6Cl142-. The salts were found to crystallize in distinct space groups following a characteristic pattern. Mixed cation-anion stacking resulted in space groups with high symmetry: Pbca in three cases and R (3) over bar c in one; a temperature study of the latter was made at ten different temperatures. The formation of dimers of anions and cations resulted in lower-symmetry space groups, mainly monoclinic (P2(1)/n, P2(1)/c and C2/c), but also P (1) over bar.",

author = "Krebs, \{Frederik C\} and Laursen, \{Bo W.\} and Ib Johannsen and Andr{\'e} Faldt and Klaus Bechgaard and Jacobsen, \{Claus Schelde\} and Niels Thorup and Kamal Boubekeur",

year = "1999",

language = "English",

volume = "B55",

pages = "410--423",

journal = "Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials",

issn = "2052-5192",

publisher = "John Wiley \& Sons Inc.",

}

Krebs, FC, Laursen, BW, Johannsen, I, Faldt, A, Bechgaard, K, Jacobsen, CS, Thorup, N & Boubekeur, K 1999, 'The Geometry and Structural Properties of the 4,8,12-Trioxa-4,8,12,12c-tetrahydrodibenzo[cd,mn]pyrene System in the Cationic State. Structures of a Planar Organic Cation with Various Monovalent- and Divalent Anions.', Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials, vol. B55, pp. 410-423.

The Geometry and Structural Properties of the 4,8,12-Trioxa-4,8,12,12c-tetrahydrodibenzo[cd,mn]pyrene System in the Cationic State. Structures of a Planar Organic Cation with Various Monovalent- and Divalent Anions. / Krebs, Frederik C; Laursen, Bo W.; Johannsen, Ib et al.
In: Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials, Vol. B55, 1999, p. 410-423.

Research output: Contribution to journal › Journal article › Research › peer-review

TY - JOUR

T1 - The Geometry and Structural Properties of the 4,8,12-Trioxa-4,8,12,12c-tetrahydrodibenzo[cd,mn]pyrene System in the Cationic State. Structures of a Planar Organic Cation with Various Monovalent- and Divalent Anions.

AU - Krebs, Frederik C

AU - Laursen, Bo W.

AU - Johannsen, Ib

AU - Faldt, André

AU - Bechgaard, Klaus

AU - Jacobsen, Claus Schelde

AU - Thorup, Niels

AU - Boubekeur, Kamal

PY - 1999

Y1 - 1999

N2 - The geometry of the 4,8,12-trioxa-4,8,12,12c- tetrahydrodibenzo[cd,mn]pyrene system in the cationic state was established by X-ray structural resolution of the salts formed between the cationand various anions. The geometry was found to be planar for the 4,8,12-trioxa-4,8,12,12c- tetrahydrodibenzo [cd,mn]pyrenylium and 2,6,10-tri (tert-butyl)-4,8,12-trioxa-4,8,12,12c-tetrahydrodibenzo[cd,mn]pyre nylium cations with the monovalentanions I-, BF4-, PF6- AsF6-, HNO3. NO3- and CF3SO3-, and the divalent anions S2O62- and Mo6Cl142-. The salts were found to crystallize in distinct space groups following a characteristic pattern. Mixed cation-anion stacking resulted in space groups with high symmetry: Pbca in three cases and R (3) over bar c in one; a temperature study of the latter was made at ten different temperatures. The formation of dimers of anions and cations resulted in lower-symmetry space groups, mainly monoclinic (P2(1)/n, P2(1)/c and C2/c), but also P (1) over bar.

AB - The geometry of the 4,8,12-trioxa-4,8,12,12c- tetrahydrodibenzo[cd,mn]pyrene system in the cationic state was established by X-ray structural resolution of the salts formed between the cationand various anions. The geometry was found to be planar for the 4,8,12-trioxa-4,8,12,12c- tetrahydrodibenzo [cd,mn]pyrenylium and 2,6,10-tri (tert-butyl)-4,8,12-trioxa-4,8,12,12c-tetrahydrodibenzo[cd,mn]pyre nylium cations with the monovalentanions I-, BF4-, PF6- AsF6-, HNO3. NO3- and CF3SO3-, and the divalent anions S2O62- and Mo6Cl142-. The salts were found to crystallize in distinct space groups following a characteristic pattern. Mixed cation-anion stacking resulted in space groups with high symmetry: Pbca in three cases and R (3) over bar c in one; a temperature study of the latter was made at ten different temperatures. The formation of dimers of anions and cations resulted in lower-symmetry space groups, mainly monoclinic (P2(1)/n, P2(1)/c and C2/c), but also P (1) over bar.

M3 - Journal article

SN - 2052-5192

VL - B55

SP - 410

EP - 423

JO - Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials

JF - Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials

ER -

Krebs FC, Laursen BW, Johannsen I, Faldt A, Bechgaard K, Jacobsen CS et al. The Geometry and Structural Properties of the 4,8,12-Trioxa-4,8,12,12c-tetrahydrodibenzo[cd,mn]pyrene System in the Cationic State. Structures of a Planar Organic Cation with Various Monovalent- and Divalent Anions. Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials. 1999;B55:410-423.