Tetranitromethane: A Nightmare of Molecular Flexibility in the Gaseous and Solid States

Vishnevskiy Y, Tikhonov DS, Schwabedissen J, Stammler H-G, Moll R, Krumm B, Klapoetke TM, Mitzel NW (2017)
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 56(32): 9619-9623.

Zeitschriftenaufsatz | Veröffentlicht | Englisch
 
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Autor*in
Vishnevskiy, YuryUniBi; Tikhonov, Denis S.; Schwabedissen, JanUniBi; Stammler, Hans-GeorgUniBi; Moll, Richard; Krumm, Burkhard; Klapoetke, Thomas M.; Mitzel, Norbert W.UniBi
Abstract / Bemerkung
After numerous attempts over the last seven decades to obtain a structure for the simple, highly symmetric molecule tetranitromethane (C(NO2)(4), TNM) that is consistent with results from diffraction experiments and spectroscopic analysis, the structure has now been determined in the gas phase and the solid state. For the gas phase, a new approach based on a four-dimensional dynamic model for describing the correlated torsional dynamics of the four C-NO2 units was necessary to describe the experimental gas-phase electron diffraction intensities. A model describing a highly disordered high-temperature crystalline phase was also established, and the structure of an ordered low-temperature phase was determined by X-ray diffraction. TNM is a prime example of molecular flexibility, bringing structural methods to the limits of their applicability.
Stichworte
gas-phase electron diffraction; molecular dynamics; molecular structure; tetranitromethane; X-ray diffraction
Erscheinungsjahr
2017
Zeitschriftentitel
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
Band
56
Ausgabe
32
Seite(n)
9619-9623
ISSN
1433-7851
eISSN
1521-3773
Page URI
https://pub.uni-bielefeld.de/record/2913987

Zitieren

Vishnevskiy Y, Tikhonov DS, Schwabedissen J, et al. Tetranitromethane: A Nightmare of Molecular Flexibility in the Gaseous and Solid States. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION. 2017;56(32):9619-9623.
Vishnevskiy, Y., Tikhonov, D. S., Schwabedissen, J., Stammler, H. - G., Moll, R., Krumm, B., Klapoetke, T. M., et al. (2017). Tetranitromethane: A Nightmare of Molecular Flexibility in the Gaseous and Solid States. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 56(32), 9619-9623. doi:10.1002/anie.201704396
Vishnevskiy, Yury, Tikhonov, Denis S., Schwabedissen, Jan, Stammler, Hans-Georg, Moll, Richard, Krumm, Burkhard, Klapoetke, Thomas M., and Mitzel, Norbert W. 2017. “Tetranitromethane: A Nightmare of Molecular Flexibility in the Gaseous and Solid States”. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 56 (32): 9619-9623.
Vishnevskiy, Y., Tikhonov, D. S., Schwabedissen, J., Stammler, H. - G., Moll, R., Krumm, B., Klapoetke, T. M., and Mitzel, N. W. (2017). Tetranitromethane: A Nightmare of Molecular Flexibility in the Gaseous and Solid States. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 56, 9619-9623.
Vishnevskiy, Y., et al., 2017. Tetranitromethane: A Nightmare of Molecular Flexibility in the Gaseous and Solid States. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 56(32), p 9619-9623.
Y. Vishnevskiy, et al., “Tetranitromethane: A Nightmare of Molecular Flexibility in the Gaseous and Solid States”, ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, vol. 56, 2017, pp. 9619-9623.
Vishnevskiy, Y., Tikhonov, D.S., Schwabedissen, J., Stammler, H.-G., Moll, R., Krumm, B., Klapoetke, T.M., Mitzel, N.W.: Tetranitromethane: A Nightmare of Molecular Flexibility in the Gaseous and Solid States. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION. 56, 9619-9623 (2017).
Vishnevskiy, Yury, Tikhonov, Denis S., Schwabedissen, Jan, Stammler, Hans-Georg, Moll, Richard, Krumm, Burkhard, Klapoetke, Thomas M., and Mitzel, Norbert W. “Tetranitromethane: A Nightmare of Molecular Flexibility in the Gaseous and Solid States”. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 56.32 (2017): 9619-9623.

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48 References

Daten bereitgestellt von Europe PubMed Central.


AUTHOR UNKNOWN, 0

Will, Chem. Ber. 47(), 1914

AUTHOR UNKNOWN, 0

Baum, J. Org. Chem. 50(), 1985

AUTHOR UNKNOWN, 0

Nielsen, J. Org. Chem. 44(), 1979

Nielsen, J. Org. Chem. 48(), 1983
Hepta- and Octanitrocubanes.
Zhang MX, Eaton PE, Gilardi R., Angew. Chem. Int. Ed. Engl. 39(2), 2000
PMID: 10649425

AUTHOR UNKNOWN, Angew. Chem. 112(), 2000

Nielsen, 1995

Liang, Org. Synth. 21(), 1941

Patterson, J. Org. Chem. 20(), 1955

AUTHOR UNKNOWN, 0

Schischkoff, Justus Liebigs Ann. Chem. 103(), 1857

Hantzsch, Ber. Dtsch. Chem. Ges. 32(), 1899

AUTHOR UNKNOWN, 0

Schischkoff, Justus Liebigs Ann. Chem. 101(), 1857

Parker, Tetrahedron 17(), 1962

AUTHOR UNKNOWN, 0

Pepkin, Khim. Fiz. 12(), 1993

Khisamutdinov, Russ. Chem. Bull. 46(), 1997
Chlorotrinitromethane and its exceptionally short carbon-chlorine bond.
Gobel M, Tchitchanov BH, Murray JS, Politzer P, Klapotke TM., Nat Chem 1(3), 2009
PMID: 21378853
Halogenotrinitromethanes: a combined study in the crystalline and gaseous phase and using quantum chemical methods.
Klapotke TM, Krumm B, Moll R, Rest SF, Vishnevskiy YV, Reuter C, Stammler HG, Mitzel NW., Chemistry 20(40), 2014
PMID: 25156478

Klapötke, Z. Naturforsch. B 68(), 2013

Krishnamurti, Ind. J. Phys. Proc. Ind. Assoc. Cultivation Sci. 3(), 1929

AUTHOR UNKNOWN, 0

Oda, Bull. Chem. Soc. Jpn. 27(), 1954

Oda, J. Chem. Soc. Jpn. 64(), 1943

Oda, J. Chem. Soc. Jpn. 65(), 1944

Oda, J. Chem. Soc. Jpn. 65(), 1944

Stosick, J. Am. Chem. Soc. 61(), 1939

Sadova, J. Mol. Struct. 31(), 1976

Lindenmeyer, J. Chem. Phys. 21(), 1953

AUTHOR UNKNOWN, 0

Haouas, Phys. Chem. Chem. Phys. 3(), 2001

Coburn, Magn. Reson. Chem. 28(), 1990

Sadova, J. Chem. Soc. Chem. Commun. (), 1973

Sadova, J. Struct. Chem. 17(), 1976

Tsuji, J. Mol. Struct. 554(), 2000

Tsuji, J. Phys. Chem. A 105(), 2001

Kuze, J. Mol. Struct. 612(), 2002

Khaikin, Struct. Chem. 26(), 2015

Metropolis, J. Chem. Phys. 21(), 1953

Schlick, 2010

AUTHOR UNKNOWN, 0

AUTHOR UNKNOWN, 0

Schödel, Acta Crystallogr. Sect. C 50(), 1994
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