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Garcia-Yoldi, Iñigo, Miller, Joel S., Novoa, Juan J. (2007) Structure and Stability of the [TCNE]22-Dimers in Dichloromethane Solution:  A Computational Study. The Journal of Physical Chemistry A, 111 (32). 8020-8027 doi:10.1021/jp073188i

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Reference TypeJournal (article/letter/editorial)
TitleStructure and Stability of the [TCNE]22-Dimers in Dichloromethane Solution:  A Computational Study
JournalThe Journal of Physical Chemistry A
AuthorsGarcia-Yoldi, IñigoAuthor
Miller, Joel S.Author
Novoa, Juan J.Author
Year2007 (August)Volume111
Issue32
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/jp073188iSearch in ResearchGate
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Mindat Ref. ID3952022Long-form Identifiermindat:1:5:3952022:5
GUID0
Full ReferenceGarcia-Yoldi, Iñigo, Miller, Joel S., Novoa, Juan J. (2007) Structure and Stability of the [TCNE]22-Dimers in Dichloromethane Solution:  A Computational Study. The Journal of Physical Chemistry A, 111 (32). 8020-8027 doi:10.1021/jp073188i
Plain TextGarcia-Yoldi, Iñigo, Miller, Joel S., Novoa, Juan J. (2007) Structure and Stability of the [TCNE]22-Dimers in Dichloromethane Solution:  A Computational Study. The Journal of Physical Chemistry A, 111 (32). 8020-8027 doi:10.1021/jp073188i
In(2007, August) The Journal of Physical Chemistry A Vol. 111 (32) American Chemical Society (ACS)

See Also

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Garcia-Yoldi, Iñigo, Miller, Joel S., Novoa, Juan J. (2009) Theoretical Study of the Electronic Structure of [Tetrathiafulvalene]22+Dimers and Their Long, Intradimer Multicenter Bonding in Solution and the Solid State. The Journal of Physical Chemistry A, 113 (2). 484-492 doi:10.1021/jp807022h
Garcia-Yoldi, Iñigo, Miller, Joel S., Novoa, Juan J. (2008) [Cyanil]22− dimers possess long, two-electron ten-center (2e−/10c) multicenter bonding. Physical Chemistry Chemical Physics, 10 (28). 4106pp. doi:10.1039/b806900j
Garcia-Yoldi, Iñigo, Miller, Joel S., Novoa, Juan J. (2009) Theoretical Study of the Electronic Structure of [TCNQ]22−(TCNQ = 7,7,8,8-Tetracyano-p-quinodimethane) Dimers and Their Intradimer, Long, Multicenter Bond in Solution and the Solid State. The Journal of Physical Chemistry A, 113 (25). 7124-7132 doi:10.1021/jp901930s
García-Yoldi, Iñigo, Mota, Fernando, Novoa, Juan J. (2007) The origin of the two-electron/four-centers CC bond in π-TCNE22− dimers: Electrostatic or dispersion?. Journal of Computational Chemistry, 28 (1). 326-334 doi:10.1002/jcc.20525
Mota, Fernando, Miller, Joel S., Novoa, Juan J. (2009) Comparative Analysis of the Multicenter, Long Bond in [TCNE]·−and Phenalenyl Radical Dimers: A Unified Description of Multicenter, Long Bonds. Journal Of The American Chemical Society, 131 (22) 7699-7707 doi:10.1021/ja9002298
Capdevila-Cortada, Marçal, Miller, Joel S., Novoa, Juan J. (2015) Orientational Preference of Long, Multicenter Bonds in Radical Anion Dimers: A Case Study of π-[TCNB]22−and π-[TCNP]22−. Chemistry - A European Journal, 21 (17). 6420-6432 doi:10.1002/chem.201406028
Capdevila-Cortada, Marçal, Ribas-Arino, Jordi, Chaumont, Alain, Wipff, Georges, Novoa, Juan J. (2016) Formation of Long, Multicenter π-[TCNE]22−Dimers in Solution: Solvation and Stability Assessed through Molecular Dynamics Simulations. Chemistry - A European Journal, 22 (47). 17037-17046 doi:10.1002/chem.201603537
Miller, Joel S., Mota, Fernando, Novoa, Juan J. (2022) Origin of the magnetic couplings for the weak ferromagnet Li+[TCNE]•- (TCNE = Tetracyanoethylene) Polyhedron, 221. 115871 doi:10.1016/j.poly.2022.115871
Novoa, Juan J., Lafuente, Pilar, Del Sesto, Rico E., Miller, Joel S. (2002) On the existence of long C–C bonds between pairs of anions which repel: when and why? A test case on the [TCNE]22−dimers found in ionic crystals. CrystEngComm, 4. 373-377 doi:10.1039/b202400b
Novoa, Juan N., Ribas-Ariño, Jordi, Shum, William W., Miller, Joel S. (2007) Control of Two-Electron Four-Center (2e-/4c) C−C Bond Formation Observed for Tetracyanoethenide Dimerization, [TCNE]22-. Inorganic Chemistry, 46 (6) 2339 doi:10.1021/ic070117p
Graham, Adora G., Mota, Fernando, Shurdha, Endrit, Rheingold, Arnold L., Novoa, Juan J., Miller, Joel S. (2015) A New Conformation With an Extraordinarily Long, 3.04 Å Two-Electron, Six-Center Bond Observed for the π-[TCNE]22−Dimer in [NMe4]2[TCNE]2(TCNE=Tetracyanoethylene). Chemistry - A European Journal, 21 (38). 13240-13245 doi:10.1002/chem.201501963
 
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