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

Update item information
Publication Type Journal Article
School or College College of Science
Department Chemistry
Creator Miller, Joel Steven
Other Author Piccoli, Paula M. B.; Schultz, Arthur J.; Sparkes, Hazel A.; Howard, Judith A. K.; Arif, Atta M.; Dawe, Louise N.
Title [MeNC5H5]2[TCNE]2 (TCNE = tetracyanoethylene). Single crystal X-ray and neutron diffraction characterization of an exceptionally long 2.8 Å C-C bond
Date 2009
Description 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)Å at 50 K from X-ray diffraction, and 2.801(4)Å at 50 K from neutron diffraction. In the IR it exhibits nChN absorptions at 2191, 2174, 2169, 2163 and a nCC 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.
Type Text
Publisher Royal Society of Chemistry
Journal Title CrystEngComm
Volume 11
Issue 4
First Page 686
Last Page 690
DOI 10.1039/b816817b
citatation_issn 1466-8033
Subject C-C bond; Tetracyanoethylene; Neutron diffraction; X-ray diffraction; Multicenter C-C bonding
Subject LCSH Chemical bonds; Neutrons -- Diffraction; X-rays -- Diffraction
Language eng
Bibliographic Citation Piccoli, P. M. B., Schultz, A. J., Sparkes, H. A., Howard, J. A. K., Arif, A. M., Dawe, L. N., & Miller, J. S. (2009). [MeNC5H5]2[TCNE]2 (TCNE = tetracyanoethylene). Single crystal X-ray and neutron diffraction characterization of an exceptionally long 2.8 Å C-C bond. CrystEngComm, 11(4), 686-90.
Rights Management (c)Royal Society of Chemistry http://dx.doi.org/10.1039/b816817b
Format Medium application/pdf
Format Extent 448,955 bytes
Identifier ir-main,7712
ARK ark:/87278/s6cn7ng8
Setname ir_uspace
Date Created 2012-06-13
Date Modified 2012-07-13
ID 706569
Reference URL https://collections.lib.utah.edu/ark:/87278/s6cn7ng8
Back to Search Results