Disulfuryl Dichloride ClSO2OSO2Cl: A Conformation and Polymorphism Chameleon
Betancourt AM, Schwabedissen J, Romano RM, Della Vedova CO, Beckers H, Willner H, Stammler H-G, Mitzel NW (2018)
CHEMISTRY-A EUROPEAN JOURNAL 24(41): 10409-10421.
Zeitschriftenaufsatz
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Autor*in
Betancourt, Angelica Moreno;
Schwabedissen, JanUniBi;
Romano, Rosana M.;
Della Vedova, Carlos O.;
Beckers, Helmut;
Willner, Helge;
Stammler, Hans-GeorgUniBi;
Mitzel, Norbert W.UniBi
Abstract / Bemerkung
Disulfuryl dichloride ClSO2OSO2Cl was characterized by vibrational spectroscopy in the gaseous and liquid phase as well as in the Ar-matrix. By varying the temperature, certain bands could be assigned to several conformers. Gas-phase electron diffraction revealed a dominance of the anti-conformer at ambient temperature. The same conformation was found in the solid state. Via the in situ technique for crystallization, not less than four different modifications were identified. Among these different modifications, the structural parameters of the molecules remain relatively constant, but the aggregation pattern changes. Although the molecules aggregate by chlorineoxygen contacts in each modification, the geometrical parameters of these interaction show significant differences and were evaluated and are in part inconsistent with the halogen bonding concept.
Stichworte
disulfuryl dichloride;
gas-phase electron diffraction;
in situ;
crystallization;
matrix-isolation vibrational spectroscopy;
solid-state;
modifications
Erscheinungsjahr
2018
Zeitschriftentitel
CHEMISTRY-A EUROPEAN JOURNAL
Band
24
Ausgabe
41
Seite(n)
10409-10421
ISSN
0947-6539
eISSN
1521-3765
Page URI
https://pub.uni-bielefeld.de/record/2930513
Zitieren
Betancourt AM, Schwabedissen J, Romano RM, et al. Disulfuryl Dichloride ClSO2OSO2Cl: A Conformation and Polymorphism Chameleon. CHEMISTRY-A EUROPEAN JOURNAL. 2018;24(41):10409-10421.
Betancourt, A. M., Schwabedissen, J., Romano, R. M., Della Vedova, C. O., Beckers, H., Willner, H., Stammler, H. - G., et al. (2018). Disulfuryl Dichloride ClSO2OSO2Cl: A Conformation and Polymorphism Chameleon. CHEMISTRY-A EUROPEAN JOURNAL, 24(41), 10409-10421. doi:10.1002/chem.201800817
Betancourt, Angelica Moreno, Schwabedissen, Jan, Romano, Rosana M., Della Vedova, Carlos O., Beckers, Helmut, Willner, Helge, Stammler, Hans-Georg, and Mitzel, Norbert W. 2018. “Disulfuryl Dichloride ClSO2OSO2Cl: A Conformation and Polymorphism Chameleon”. CHEMISTRY-A EUROPEAN JOURNAL 24 (41): 10409-10421.
Betancourt, A. M., Schwabedissen, J., Romano, R. M., Della Vedova, C. O., Beckers, H., Willner, H., Stammler, H. - G., and Mitzel, N. W. (2018). Disulfuryl Dichloride ClSO2OSO2Cl: A Conformation and Polymorphism Chameleon. CHEMISTRY-A EUROPEAN JOURNAL 24, 10409-10421.
Betancourt, A.M., et al., 2018. Disulfuryl Dichloride ClSO2OSO2Cl: A Conformation and Polymorphism Chameleon. CHEMISTRY-A EUROPEAN JOURNAL, 24(41), p 10409-10421.
A.M. Betancourt, et al., “Disulfuryl Dichloride ClSO2OSO2Cl: A Conformation and Polymorphism Chameleon”, CHEMISTRY-A EUROPEAN JOURNAL, vol. 24, 2018, pp. 10409-10421.
Betancourt, A.M., Schwabedissen, J., Romano, R.M., Della Vedova, C.O., Beckers, H., Willner, H., Stammler, H.-G., Mitzel, N.W.: Disulfuryl Dichloride ClSO2OSO2Cl: A Conformation and Polymorphism Chameleon. CHEMISTRY-A EUROPEAN JOURNAL. 24, 10409-10421 (2018).
Betancourt, Angelica Moreno, Schwabedissen, Jan, Romano, Rosana M., Della Vedova, Carlos O., Beckers, Helmut, Willner, Helge, Stammler, Hans-Georg, and Mitzel, Norbert W. “Disulfuryl Dichloride ClSO2OSO2Cl: A Conformation and Polymorphism Chameleon”. CHEMISTRY-A EUROPEAN JOURNAL 24.41 (2018): 10409-10421.
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64 References
Daten bereitgestellt von Europe PubMed Central.
Gillespie, Can. J. Chem. 39(), 1961
Grela, J. Phys. Chem. 100(), 1996
Photochemistry of SO2/Cl2/O2 gas mixtures: synthesis of the new peroxide ClSO2OOSO2Cl.
Romano RM, Della Vedova CO, Beckers H, Willner H., Inorg Chem 48(5), 2009
PMID: 19235954
Romano RM, Della Vedova CO, Beckers H, Willner H., Inorg Chem 48(5), 2009
PMID: 19235954
Photofragmentation Mechanisms of Chlorosulfonyl Isocyanate, ClSO2NCO, Excited with Synchrotron Radiation between 12 and 550 eV.
Moreno Betancourt A, Bava YB, Berrueta Martinez Y, Erben MF, Cavasso Filho RL, Della Vedova CO, Romano RM., J Phys Chem A 119(29), 2015
PMID: 26121558
Moreno Betancourt A, Bava YB, Berrueta Martinez Y, Erben MF, Cavasso Filho RL, Della Vedova CO, Romano RM., J Phys Chem A 119(29), 2015
PMID: 26121558
Prandtl, Z. Anorg. Chem. 62(), 1909
Gillespie, Spectrochim. Acta 19(), 1963
Hencher, Can. J. Chem. 51(), 1973
Blake, Acta Crystallogr. Sect. C 49(), 1993
Cohen, Mol. Phys. 99(), 2001
Kendall, J. Chem. Phys. 96(), 1992
Møller, Phys. Rev. 46(), 1934
Gillespie, Can. J. Chem. 42(), 1964
Density-functional exchange-energy approximation with correct asymptotic behavior.
Becke AD., Phys Rev A Gen Phys 38(6), 1988
PMID: 9900728
Becke AD., Phys Rev A Gen Phys 38(6), 1988
PMID: 9900728
AUTHOR UNKNOWN, 0
Density-functional approximation for the correlation energy of the inhomogeneous electron gas.
Perdew JP., Phys. Rev., B Condens. Matter 33(12), 1986
PMID: 9938299
Perdew JP., Phys. Rev., B Condens. Matter 33(12), 1986
PMID: 9938299
Blaudeau, J. Chem. Phys. 107(), 1997
Francl, J. Chem. Phys. 77(), 1982
Rassolov, J. Comput. Chem. 22(), 2001
Simon, Z. Anorg. Allg. Chem. 311(), 1961
Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density.
Lee C, Yang W, Parr RG., Phys. Rev., B Condens. Matter 37(2), 1988
PMID: 9944570
Lee C, Yang W, Parr RG., Phys. Rev., B Condens. Matter 37(2), 1988
PMID: 9944570
Chaabouni, J. Phys. Chem. A 104(), 2000
Haist, J. Mol. Struct. 445(), 1998
Hargittai, J. Mol. Struct. 73(), 1981
Hönle, Z. Kristallogr. 196(), 1991
Desiraju, Pure Appl. Chem. 85(), 2013
Halogen bonding: the sigma-hole. Proceedings of "Modeling interactions in biomolecules II", Prague, September 5th-9th, 2005.
Clark T, Hennemann M, Murray JS, Politzer P., J Mol Model 13(2), 2006
PMID: 16927107
Clark T, Hennemann M, Murray JS, Politzer P., J Mol Model 13(2), 2006
PMID: 16927107
The Halogen Bond.
Cavallo G, Metrangolo P, Milani R, Pilati T, Priimagi A, Resnati G, Terraneo G., Chem. Rev. 116(4), 2016
PMID: 26812185
Cavallo G, Metrangolo P, Milani R, Pilati T, Priimagi A, Resnati G, Terraneo G., Chem. Rev. 116(4), 2016
PMID: 26812185
AUTHOR UNKNOWN, 0
Coppens, 1997
Chemical applications of X-ray charge-density analysis.
Koritsanszky TS, Coppens P., Chem. Rev. 101(6), 2001
PMID: 11709993
Koritsanszky TS, Coppens P., Chem. Rev. 101(6), 2001
PMID: 11709993
AUTHOR UNKNOWN, 0
Bader, 2003
Bader, Chem. Rev. 91(), 1991
Testing the concept of hypervalency: charge density analysis of K2SO4.
Schmokel MS, Cenedese S, Overgaard J, Jorgensen MR, Chen YS, Gatti C, Stalke D, Iversen BB., Inorg Chem 51(15), 2012
PMID: 22834961
Schmokel MS, Cenedese S, Overgaard J, Jorgensen MR, Chen YS, Gatti C, Stalke D, Iversen BB., Inorg Chem 51(15), 2012
PMID: 22834961
The significance of ionic bonding in sulfur dioxide: bond orders from X-ray diffraction data.
Grabowsky S, Luger P, Buschmann J, Schneider T, Schirmeister T, Sobolev AN, Jayatilaka D., Angew. Chem. Int. Ed. Engl. 51(27), 2012
PMID: 22644673
Grabowsky S, Luger P, Buschmann J, Schneider T, Schirmeister T, Sobolev AN, Jayatilaka D., Angew. Chem. Int. Ed. Engl. 51(27), 2012
PMID: 22644673
AUTHOR UNKNOWN, Angew. Chem. 124(), 2012
AUTHOR UNKNOWN, 0
Dunkin, 1998
Almond, 1989
Almond, 1990
Perutz, J. Chem. Soc. Faraday Trans. 2 69(), 1973
AUTHOR UNKNOWN, 0
Reuter, Z. Naturforsch. B 71(), 2016
Berger, Z. Naturforsch. B 64(), 2009
Vishnevskiy, J. Mol. Struct. 833(), 2007
Vishnevskiy, J. Mol. Struct. 871(), 2007
AUTHOR UNKNOWN, 0
AUTHOR UNKNOWN, 0
Sipachev, J. Mol. Struct. THEOCHEM 121(), 1985
Sipachev, J. Mol. Struct. 567-568(), 2001
Sipachev, J. Mol. Struct. 693(), 2004
Boese, Z. Kristallogr. 229(), 2014
Dolomanov, J. Appl. Crystallogr. 42(), 2009
AUTHOR UNKNOWN, 0
SHELXT - integrated space-group and crystal-structure determination.
Sheldrick GM., Acta Crystallogr A Found Adv 71(Pt 1), 2015
PMID: 25537383
Sheldrick GM., Acta Crystallogr A Found Adv 71(Pt 1), 2015
PMID: 25537383
Crystal structure refinement with SHELXL.
Sheldrick GM., Acta Crystallogr C Struct Chem 71(Pt 1), 2015
PMID: 25567568
Sheldrick GM., Acta Crystallogr C Struct Chem 71(Pt 1), 2015
PMID: 25567568
AUTHOR UNKNOWN, 0
AUTHOR UNKNOWN, 0
Becker, Acta Crystallogr. Sect. A 30(), 1974
Farrugia, J. Appl. Crystallogr. 45(), 2012
AUTHOR UNKNOWN, 0
AUTHOR UNKNOWN, 0
Efficient and Accurate Double-Hybrid-Meta-GGA Density Functionals-Evaluation with the Extended GMTKN30 Database for General Main Group Thermochemistry, Kinetics, and Noncovalent Interactions.
Goerigk L, Grimme S., J Chem Theory Comput 7(2), 2010
PMID: 26596152
Goerigk L, Grimme S., J Chem Theory Comput 7(2), 2010
PMID: 26596152
AUTHOR UNKNOWN, 0
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