[MeNC5H5](2)[TCNE](2) (TCNE = tetracyanoethylene). Single crystal X-ray and neutron diffraction characterization of an exceptionally long 2.8 angstrom C-C bond

Paula M. B. Piccoli; Arthur J. Schultz; Hazel A. Sparkes; Judith A. K. Howard; Atta M. Arif; Louise N. Dawe; Joel S. Miller

doi:10.1039/b816817b

[MeNC5H5](2)[TCNE](2) (TCNE = tetracyanoethylene). Single crystal X-ray and neutron diffraction characterization of an exceptionally long 2.8 angstrom C-C bond

Paula M. B. Piccoli, Arthur J. Schultz, Hazel A. Sparkes, Judith A. K. Howard, Atta M. Arif, Louise N. Dawe, Joel S. Miller^*

^*Corresponding author for this work

School of Chemistry

Research output: Contribution to journal › Article (Academic Journal) › peer-review

15 Citations (Scopus)

Abstract

The reaction of N-methylpyridinium iodide, Mepy(+)I(-), and tetracyanoethylene (TCNE) forms [Mepy](2)[TCNE](2), which possesses [TCNE](2)(2-) with an intradimer C-C bond distance of 2.806(1) angstrom at 50 K from X-ray diffraction, and 2.801(4) angstrom at 50 K from neutron diffraction. In the IR it exhibits v(C N) absorptions at 2191, 2174, 2169, 2163 and a v(CC) absorption at 1366 cm(-1), with UV/Vis absorption bands at 26,880 and 18,520 cm(-1). Analysis of the cation-hydrogen to [TCNE](2)(2-) interactions do not provide evidence that the cation stabilizes formation of the [TCNE](2)(2-) dimer, which is stabilized by the intradimer 2e(-)-4 center C-C bonding interaction.

Original language	English
Pages (from-to)	686-690
Number of pages	5
Journal	CrystEngComm
Volume	11
Issue number	4
DOIs	https://doi.org/10.1039/b816817b
Publication status	Published - 2009

Keywords

SOLID-STATE
HYDROGEN
DIMER
2-ELECTRON
VAN

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@article{1370a4c527bd477ba39a0020a382e1c9,

title = "[MeNC5H5](2)[TCNE](2) (TCNE = tetracyanoethylene). Single crystal X-ray and neutron diffraction characterization of an exceptionally long 2.8 angstrom C-C bond",

abstract = "The reaction of N-methylpyridinium iodide, Mepy(+)I(-), and tetracyanoethylene (TCNE) forms [Mepy](2)[TCNE](2), which possesses [TCNE](2)(2-) with an intradimer C-C bond distance of 2.806(1) angstrom at 50 K from X-ray diffraction, and 2.801(4) angstrom at 50 K from neutron diffraction. In the IR it exhibits v(C N) absorptions at 2191, 2174, 2169, 2163 and a v(CC) absorption at 1366 cm(-1), with UV/Vis absorption bands at 26,880 and 18,520 cm(-1). Analysis of the cation-hydrogen to [TCNE](2)(2-) interactions do not provide evidence that the cation stabilizes formation of the [TCNE](2)(2-) dimer, which is stabilized by the intradimer 2e(-)-4 center C-C bonding interaction.",

keywords = "SOLID-STATE, HYDROGEN, DIMER, 2-ELECTRON, VAN",

author = "Piccoli, \{Paula M. B.\} and Schultz, \{Arthur J.\} and Sparkes, \{Hazel A.\} and Howard, \{Judith A. K.\} and Arif, \{Atta M.\} and Dawe, \{Louise N.\} and Miller, \{Joel S.\}",

year = "2009",

doi = "10.1039/b816817b",

language = "English",

volume = "11",

pages = "686--690",

journal = "CrystEngComm",

issn = "1466-8033",

publisher = "Royal Society of Chemistry",

number = "4",

}

TY - JOUR

T1 - [MeNC5H5](2)[TCNE](2) (TCNE = tetracyanoethylene). Single crystal X-ray and neutron diffraction characterization of an exceptionally long 2.8 angstrom C-C bond

AU - Piccoli, Paula M. B.

AU - Schultz, Arthur J.

AU - Sparkes, Hazel A.

AU - Howard, Judith A. K.

AU - Arif, Atta M.

AU - Dawe, Louise N.

AU - Miller, Joel S.

PY - 2009

Y1 - 2009

N2 - The reaction of N-methylpyridinium iodide, Mepy(+)I(-), and tetracyanoethylene (TCNE) forms [Mepy](2)[TCNE](2), which possesses [TCNE](2)(2-) with an intradimer C-C bond distance of 2.806(1) angstrom at 50 K from X-ray diffraction, and 2.801(4) angstrom at 50 K from neutron diffraction. In the IR it exhibits v(C N) absorptions at 2191, 2174, 2169, 2163 and a v(CC) absorption at 1366 cm(-1), with UV/Vis absorption bands at 26,880 and 18,520 cm(-1). Analysis of the cation-hydrogen to [TCNE](2)(2-) interactions do not provide evidence that the cation stabilizes formation of the [TCNE](2)(2-) dimer, which is stabilized by the intradimer 2e(-)-4 center C-C bonding interaction.

AB - The reaction of N-methylpyridinium iodide, Mepy(+)I(-), and tetracyanoethylene (TCNE) forms [Mepy](2)[TCNE](2), which possesses [TCNE](2)(2-) with an intradimer C-C bond distance of 2.806(1) angstrom at 50 K from X-ray diffraction, and 2.801(4) angstrom at 50 K from neutron diffraction. In the IR it exhibits v(C N) absorptions at 2191, 2174, 2169, 2163 and a v(CC) absorption at 1366 cm(-1), with UV/Vis absorption bands at 26,880 and 18,520 cm(-1). Analysis of the cation-hydrogen to [TCNE](2)(2-) interactions do not provide evidence that the cation stabilizes formation of the [TCNE](2)(2-) dimer, which is stabilized by the intradimer 2e(-)-4 center C-C bonding interaction.

KW - SOLID-STATE

KW - HYDROGEN

KW - DIMER

KW - 2-ELECTRON

KW - VAN

U2 - 10.1039/b816817b

DO - 10.1039/b816817b

M3 - Article (Academic Journal)

SN - 1466-8033

VL - 11

SP - 686

EP - 690

JO - CrystEngComm

JF - CrystEngComm

IS - 4

ER -

[MeNC5H5](2)[TCNE](2) (TCNE = tetracyanoethylene). Single crystal X-ray and neutron diffraction characterization of an exceptionally long 2.8 angstrom C-C bond

Abstract

Keywords

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