Dr. Yana Steudel

Academic and Publishing Professional

E-mail: yana@sulfur-research.de

Professional Experience

• since 2013 Associate Editor at Wiley Information Services (ChemInform), John Wiley & Sons, Berlin

• 2005 - 2012 Chemical Data Analyst at FIZ Chemie Berlin (ChemInform)

• 2002 - 2005 Scientific Researcher at the Technical University Berlin

• 1999 - 2002 Scientific Researcher at the Free University Berlin in a joint Project of TUB and FUB

• 1994 - 1999 Scientific Researcher at the Technical University Berlin

• 1992-1994 PostDoc at the Institute for Chemical Research of Kyoto University, Japan (Research Fellowship of the Japanese Ministry for Education, Science and Culture)
  Preparative work in Organosilicon and Organophosphorus Chemistry

• 1992 Ph.D. at the Arbuzov Institute of Organic & Physical Chemistry of the Russian Academy of Sciences, Kazan, Russia
  "Synthesis of Thioesters of Various Phosphorus Acids and their Reactions with Molecular Oxygen and Alkylating Agents"

• 1988 Diploma in Organic Chemistry at Kazan State University, Russia

Research Experience

• Organophosphorus Chemistry: Synthesis, Reaction Mechanisms and Stereochemistry

• Radical Chemistry - ESR and CIDNP Investigations

• Synthetic Organosilicon Chemistry

• Ab-initio MO Calculations of Small and Medium-Sized Molecules
  (Episulfides, Sulfur Oxo Acids, Sulfanes, Sulfane Oxides, Sulfuranes, Sulfur Halides and Pseudohalides, Krypton Fluorides, Zinc Oxide Complexes)
• Molecular Structures and Conformational Analysis
• Reaction Mechanisms and Transition States
• Thermodynamic Data
• Vibrational Spectra

Cooperations

• Prof. Ming Wah Wong, National University of Singapore

• Prof. Peter Schwerdtfeger, University of Auckland, New Zealand (now at Massey University, Auckland, New Zealand)

• Prof. Thomas Rauchfuss, University of Illinois at Urbana-Champaign, USA

• Prof. J. Derek Woollins, University of Loughborough, UK (now University of St. Andrews, UK)

Publications

• 45. Polysulfide Chemistry in Sodium-Sulfur Batteries and Related Systems - A Computational Study by G3X(MP2) and PCM Calculations.
  R. Steudel, Yana Steudel, Chem. Eur. J., 2013, 19, 3162-3176.

• 44. Structural Isomerism and Thermodynamic Properties of the Methylzinc Alkoxide Molecules (MeZnOR)_n (R = Me, tBu) and Cations [(MeZnOMe)_n]+ ( n = 3, 4) - Studied by B3LYP and PCM Calculations.
  R. Steudel, Y. Steudel, J. Phys. Chem. A. 2010, 114, 6370-6376.

• 43. Reversal of the Relative Stability of the Isomeric Radicals HSO and HOS on Hydration and Their Reactions with Ozone.
  R. Steudel, Y. Steudel, J. Phys. Chem. A 2010, 114, 4437-4445 and 5230.

• 42. Derivatives of Cysteine Related to the Thiosulfate Metabolism of Sulfur Bacteria by the Multienzyme Complex "Sox" - Studied by B3LYP-PCM and G3X(MP2) Calculations.
  R. Steudel, Y. Steudel, Phys. Chem Chem. Phys. 2010, 12, 630-644.

• 41. Microsolvation of Thiosulfuric Acid H₂S₂O₃ and of its Tautomeric Anions [HSSO₃]^- and [SSO₂(OH)]^- Studied by B3LYP-PCM and G3X(MP2) Calculations.
  R. Steudel, Y. Steudel, J. Phys. Chem. A 2009, 113, 9920-9933 and 11096.

• 40. Sulfur Dioxide and Water: Structures and Energies of the Hydrated Species SO₂.nH₂O, [HSO₃]-.nH₂O, [SO₃H]-.nH₂O and H₂SO₃.nH₂O (n = 0-8) .
  R. Steudel, Y. Steudel, Eur. J. Inorg. Chem. 2009, 1393-1405.

• 39. Complexation of the Vulcanization Accelerator Tetramethylthiuram Disulfide (TMTD) and Related Molecules with Various Zinc Compounds Including Zinc Oxide Clusters (Zn₄O₄).
  R. Steudel, Y. Steudel, M. W. Wong, Chem. Eur. J. 2008, 14, 919-932.

• 38. Charge-Transfer Complexes between the Sulfur Molecules SO₂, S₂O, S₃, SONH and SOCl₂ as Acceptors and the Amine Donors NH₃ and NMe₃ - A Computational Study.
  R. Steudel, Y. Steudel, Eur. J. Inorg. Chem. 2007, 4385-4392.

• 37. Structures and Vibrational Spectra of the Sulfur-Rich Oxides S_nO (n = 4-9). The Importance of pi*-pi* Interactions.
  M. W. Wong, Y. Steudel, R. Steudel, Chem. Eur. J. 2007, 13, 502-514.

• 36. Homolytic Dissociation of the Vulcanization Accelerator Tetramethylthiuram Disulfide (TMTD), and Structures and Stabilities of the Related Radicals Me₂NCS_n (n = 1-4) .
  R. Steudel, Y. Steudel, A. M. Mak, M. W. Wong, J. Org. Chem. 2006, 71, 9302-9311.

• 35. Interaction of Zinc Oxide Clusters with Molecules Related to the Sulfur Vulcanization of Polyolefins ("Rubber").
  R. Steudel, Y. Steudel, Chem. Eur. J. 2006, 12, 8589-8602.

• 34. Geometries, Thermodynamic Properties and Reactions of Methylzinc Alkoxide Clusters Studied by DFT Calculations.
  R. Steudel, Y. Steudel, J. Phys. Chem. A 2006, 110, 8912-8924.

• 33. Isomers of cyclo-Heptasulfur and their Coordination to Li⁺ - an ab initio MO Study.
  M. W. Wong, Y. Steudel, R. Steudel, Inorg. Chem. 2005, 44, 8908-8915.

• 32. On the Existence and Stability of Branched Selenium Chains: Isomers of Me₂Se₃ and Et₂Se₃.
  R. Steudel, Y. Steudel, Inorg. Chem. 2005, 44, 3007-3009.

• 31. Coordination of Li⁺, Ca⁺, V⁺ and Cu⁺ to the Sulfur Molecules S₈ and S₄ - A Computational Study.
  Y. Steudel, M. W. Wong, R. Steudel, Eur. J. Inorg. Chem. 2005, 2514-2525.

• 30. Electrophilic Attack on Sulfur-Sulfur Bonds II: Coordination of Lithium Cations to Sulfur-Rich Molecules - an ab initio MO Study.
  Y. Steudel, M. W. Wong, R. Steudel, Chem. Eur. J. 2005, 11, 1281-1293.

• 29. Novel Isomers of Hexasulfur - Prediction of a Stable Prism Isomer and Implications for the Thermal Reqactivity of Elemental Sulfur.
  M. W. Wong, Y. Steudel, R. Steudel J. Chem. Phys. 2004, 121, 5899-5907.

• 28. The Thermal Decomposition of S₂O Forming SO₂, S₃, S₄ and S₅O - an ab initio MO Study.
  R. Steudel, Y. Steudel Eur. J. Inorg. Chem. 2004, 3513-3521.

• 27. Structures of the Octahedral Persulfuranes H₄SF₂, H₂SF₄, Me₂SH₄ and Me₂SF₄,
  and Activation Enthalpies for Their cis/trans Isomerization
  Y. Steudel, R. Steudel, Eur. J. Inorg. Chem. 2003, 3798 - 3802.

• 26. Specification and Thermodynamics of Sulfur Vapor.
  R. Steudel, Y. Steudel, M. W. Wong Top. Curr. Chem. 2003, Vol. 230, 117 - 134.

• 25.Structures and Thermodynamics of the Sulfuranes SF₃CN and SF₂(CN)₂ as well as of the Persulfurane SF₄(CN)₂ - An ab initio MO Study by the G3(MP2) Method
  Y. Steudel, R. Steudel, Eur. J. Inorg. Chem. 2003, 2149 - 2152.

• 24. Novel Species for the Sulfur Zoo: Isomers of S₈.
  M. W. Wong, Y. Steudel, R. Steudel, Chem. Phys. Lett. 2002, 364, 387 - 392.

• 23.Tetraamidosulfurane and its Decomposition Products - an ab initio MO Study.
  R. Steudel, Y. Steudel, D. Lentz Eur. J. Inorg. Chem. 2002, 2557-2560.

• 22.The Thermal Decomposition of Thiirane - a Mechanistic Study by Ab Initio MO Theory.
  Y. Steudel, R. Steudel, M. W. Wong, Chem. Eur. J., 2002, 8, 217 - 228.

• 21. An ab initio MO Study of the Gas-Phase Reactions 2 SF₂ FS-SF₃ S=SF₄: Molecular Structures, Reaction Enthalpies and Activation Energies.
  Y. Steudel, R. Steudel, M. W. Wong and D. Lentz, Eur. J. Inorg. Chem., 2001, 2543-2548.

• 20. Does the Interconversion of Polysulfur Compounds Proceed via Hypervalent Intermediates? - An ab initio Study.
  R. Steudel, Y. Steudel, K. Miaskiewicz, Chem. Eur. J., 2001, 7, 3281 - 3290.

• 19. The Formation of the Sulfur Halides SX₄ from SX₂ and X₂: Reaction Enthalpies, Transition States and Activation Energies for X = F and Cl.
  Y. Drozdova, R. Steudel, W. Koch, K. Miaskiewicz, I. Topol, Chem. Eur. J. 5, 1999, 1936 - 1943.

• 18. Structures and Energies of Various Isomers of Dithionous Acid H₂S₂O₄ and of Its Anion HS₂O₄^-.
  Y. Drozdova, R. Steudel, R.H. Hertwig, W. Koch, Th. Steiger, J. Phys. Chem. 102, 1998, 990 - 996.

• 17. Cyclic Sulfur Imides: When and Why is the Geometry at Nitrogen Planar? - An ab-initio Study.
  Y. Drozdova, R. Steudel, Phosphorus Sulfur Silicon, 1997, 124&125, 521 - 524.

• 16. How Unstable Thiosulfoxides? - An ab-initio MO Study of Various Disulfanes RSSR (R = H, Me, Pr, All), their Branched Isomers R₂SS as well as the Related Transition States.
  R. Steudel, Y. Drozdova, K. Miaskiewicz, R.H. Hertwig, W. Koch, J. Am. Chem. Soc., 119, 1997, 1990-1996.

• 15. Oxidation Products of Organic Trisulfanes: Molecular Structures and Energies of various Isomers of the Dimethyltrisulfane Oxides Me₂S₃O and Me₂S₃O₂ and of 1,3-^tBu₂S₃O₂.
  R. Steudel, Y. Drozdova, Chem. Eur. J. 2, 1996, 1060-1067.

• 14. Structures, Energies, Torsional Barriers and Vibrational Spectra of Three Rotamers of Tetrasulfane, H₂S₄.
  Y. Drozdova, K. Miaskiewicz, R. Steudel, Z. Naturforsch. 50b, 1995, 889-893.

• 13. The Reaction of H₂S with SO₂: Molecular Structures, Energies and Vibrational Data of Seven Isomeric Forms of H₂S₃O.
  Y. Drozdova, R. Steudel, Chem. Eur. J. 1, 1995, 193-198.

• 12. Structures, Energies and Vibrational Spectra of Several Isomeric Forms of H₂S₂O and Me₂S₂O - an ab-initio Study.
  R. Steudel, Y. Drozdova, R. Hertwig, W. Koch, J. Phys. Chem., 99, 1995, 5319-5324.

• 11. Isomerization of some P(III) thioallyl esters under the reaction of molecular oxygen.
  Y. Drozdova, A. Burilov, M. Pudovik. Bull. Russ. Acad. Sci., 1993, 2543-1545.

• 10. The influence of solvents and temperatue on the reactions of various P(III) thiobenzyl esters with molecular oxygen.
  Y. Drozdova, A. Burilov, M. Pudovik. Bull. Russ. Acad. Sci., 1993, 2103-2105.

• 9.Electrochemical oxidation of some thiobenzyl P(III) esters.
  Y. Drozdova, Y. Budnikova, A. Burilov, V. Yanilkin, M. Pudovik, Y. Kargin. Bull. Russ. Acad. Sci., 1993, 1483-1490.

• 8.An unusual property of benzyl diphenylphosphinothiite in the reactions with various electrophylic reagents.
  Y. Drozdova, A. Burilov, M. Pudovik, R. Gainullin, A. Il'yasov. Bull. Chem. Soc. Jpn., 1993, Vol. 66 (2), 506-509.

• 7.Unusual reaction of thiobenzyl esters of phosphorus (III) acids with ethyl iodide.
  A. Burilov, Y. Drozdova, M. Pudovik, A. Pudovik. Zh. Obshch. Khim. 1992, Vol. 62 (5), 1183-1185.

• 6. The properties of thiobenzyl esters of the P(III) acids. Part I. The study of the reaction mechanism of 2-benzylthio-4,5-benzo-1,3,2-dioxaphospholane with ketones and molecular oxygen by CIDNP ³¹P.
  Y. Drozdova, A. Burilov, M. Pudovik, R. Gainullin, A. Il'yasov. Heteroatom Chem. 1992, Vol. 3 (4), 367-371.

• 5. Interaction of some thiobenzylic esters of phosphorus (III) acids with methyl iodide.
  A. Burilov, Y. Drozdova, M. Pudovik, A. Pudovik, Izv. AN SSSR, ser. khim. 1991, Nr. 12, 2127-2132; Bull. Russ. Acad. Sci., 1992, 2491-2492.

• 4.Interaction of Phosphorus (III) thioesters with oxygen.
  A. Burilov, Y. Drozdova, M. Pudovik, A. Pudovik, Izv. AN SSSR, ser. khim. 1991, Nr. 9, 2127-2132; Bull. Russ. Acad. Sci., 1992, 1885-1890.

• 3.Synthesis and properties of phosphorylated and sylilated -mercaptocarbonyl compounds.
  M. Pudovik, A. Burilov, I. Nikolayeva, Ya. Drozdova, D. Cherepashkin, A. Barulin. Phosph. Sulf. Silicon, 1990, Vol. 49/50, 219-220.

• 2. Synthesis and properties of phosphorylated and sylilated -mercaptocarbonyl compounds. M. Pudovik, A. Burilov, I. Nikolayeva, Ya. Drozdova, D. Cherepashkin, A. Barulin. XI Int. Conf. Phosph. Chem., Tallinn, 1989. Abstr. Lect., Tallinn, 1989, P.I-41.

• 1.Towards the question on the isomerization of some phosphorus P(III) thioesters under the action of oxygen.
  A. Burilov, T. Gazizov, M. Pudovik, Ya. Drozdova, A. Pudovik. Zh. Obshch. Khim. 1989, Vol. 59 (7), 1679-1680. (Rus.)