Volker Schmidts

Dr. Volker Schmidts

Alarich-Weiss-Str. 16
64287 Darmstadt

Office: L2|07 8

+49 6151 16-21829


Working area(s)

  • Diploma thesis 07/08 - 12/08
  • Ph.D. 02/09 - 07/13
  • Postdoc 08/13 - 09/13
  • Permanent Academic Staff 10/13 -

More information

ORCiD: 0000-0002-7195-312X

Field of research

  • RDCs and conformational flexibility
  • computational NMR methods
  • analysis software

Diploma thesis

Title Computergestützte Auswertung von Residualen Dipolaren Kopplungen
Group Prof. Dr. M. Reggelin
Place Department of Chemistry, Technical University Darmstadt

Dissertation

Title Entwicklung einer Auswertungssoftware zur Anwendung Residualer Dipolarer Kopplungen in der organischen Strukturaufklärung
Group Prof. Dr. C. M. Thiele
Place Department of Chemistry, Technical University Darmstadt

Prizes and awards

05/10 – 12/12 Ph. D. fellowship of the Studienstiftung des Deutschen Volkes
04/12 Award for “Outstanding Scientific Achievements” of the “Vereinigung von Freunden der Technischen Universität zu Darmstadt e.V.”
01/14 Kurt-Ruths-Award at Technische Universität Darmstadt
05/14 Award of the “Vereinigung von Freunden der Technischen Universität zu Darmstadt e.V.” for the best dissertation of the year 2013 in the Department of Chemistry at Technische Universität Darmstadt

Member of (scientific) Boards

since 01/2016 Member of the Associate Editorial Board of Magnetic Resonance in Chemistry

Talks

1 Determination of Conformer Populations from Residual Dipolar Couplings (RDCs)
GDCh FGMR 31st Annual Discussion Meeting, Dresden, 09/09 (upgraded Poster).
2 RDC-based Determination of the Relative Configuration of the Fungicidal Cyclopentenone Hygrophorone A12
SMASH 2011, Chamonix/France, 09/11 (upgraded Poster).
3 Studies of the dynamic behavior of a monohaptoallylpalladium species by EXSY and RDCs
Euromar 2014, Zurich/Switzerland, 07/14 (upgraded Poster).
4 Using Residual Dipolar Couplings to Study the Structure and Dynamics of Catalytically Active Species
Sino-German NMR Symposium on Novel NMR-based Methods for Organic Structure Determination (GZ1104), Wenzhou/China, 11/14.

Publications

1 S. Leuthäußer, V. Schmidts, C. M. Thiele, H. Plenio
π-Face Donor Properties of N-Heterocyclic Carbenes in Grubbs II Complexes
Chem. Eur. J. 2008, 14, 5465-5481.
2 A. Marx, V. Schmidts, C. M. Thiele
How different are diastereomorphous orientations of enantiomers in the liquid crystalline phases of PBLG and PBDG: a case study
Magn. Res. Chem. 2009, 47, 734-740.
3 C. M. Thiele, V. Schmidts, B. Böttcher, I. Louzao, R. Berger, A. Maliniak, B. Stevensson
On the Treatment of Conformational Flexibility when using Residual Dipolar Couplings for Structure Determination
Angew. Chem. 2009, 121, 6836-6840, Angew. Chem. Int. Ed. 2009, 48, 6708-6712.
4 B. Böttcher, V. Schmidts, J. A. Raskatov, C. M. Thiele
Determination of the Conformation of the Key Intermediate in an Enantioselective Palladium-Catalyzed Allylic Substitution from Residual Dipolar Couplings
Angew. Chem. 2010, 122, 210-214, Angew. Chem. Int. Ed. 2010, 49, 205-209.
5 U. M. Reinscheid, M. Köck, C. Cychon, V. Schmidts, C. M. Thiele, C. Griesinger
The Absolute Configuration of Dibromopalau'amine
Eur. J. Org. Chem. 2010, 6900-6903.
6 N.-C. Meyer, A. Krupp, V. Schmidts, C. M. Thiele, M. Reggelin
Polyacetylenes as Enantiodifferentiating Alignment Media
Angew. Chem. 2012, 124, 8459–8463, Angew. Chem. Int. Ed. 2012, 51, 8334–8338.
7 V. Schmidts, M. Fredersdorf, T. Lübken, A. Porzel, N. Arnold, L. Wessjohann, C. M. Thiele
RDC-Based Determination of the Relative Configuration of the Fungicidal Cyclopentenone 4,6-Diacetylhygrophorone A12
J. Nat. Prod. 2013, 76, 839-844.
8 A. Kolmer, L. Kaltschnee, V. Schmidts, L. H. Peeck, H. Plenio, C. M. Thiele
The influence of electronic modifications on rotational barriers of bis-NHC-complexes as observed by dynamic NMR spectroscopy
Magn. Reson. Chem. 2013, 51, 695–700.
9 L. Kaltschnee, A. Kolmer, I. Timári, V. Schmidts, R. W. Adams, M. Nilsson, K. E Kövér, G. A Morris, C. M. Thiele
“Perfecting” pure shift HSQC: full homodecoupling for accurate and precise determination of heteronuclear couplings
Chem. Commun. 2014, 50, 15702-15705.
10 L.-G. Xie, V. Bagutski, D. Audisio, L. Wolf, V. Schmidts, K. Hofmann, C. Wirtz, W. Thiel, C. M. Thiele, N. Maulide
Dynamic Behaviour of monohaptoallylpaladium species: internal coordination as a driving force in allylic alkylation chemistry
Chem. Sci. 2015, 6, 5734-5739.
11 M. Fredersdorf, R. Göstl, A. Kolmer, V. Schmidts, P. Monecke, S. Hecht, C. M. Thiele
Exploring the Conformational Space of Bridge-Substituted Dithienylcyclopentenes
Chem. Eur. J. 2015, 21, 14545–14554.
12 L. Kaltschnee, K. Knoll, V. Schmidts, R. W. Adams, M. Nilsson, G. A. Morris, C. M. Thiele
Extraction of Distance Restraints from Pure Shift NOE experiments
J. Magn. Reson. 2016, 271, 99-109.
13 S. Hörner, S. Knauer, C. Uth, M. Jöst, V. Schmidts, H. Frauendorf, C. M. Thiele, O. Avrutina, H. Kolmar
Nanoscale Biodegradable Organic–Inorganic Hybrids for Efficient Cell Penetration and Drug Delivery
Angew. Chem. 2016, 128, 15063-15068, Angew. Chem. Int. Ed. 2016, 55, 14842-14846.
14 E. Procházková, A. Kolmer, J. Ilgen, M. Schwab, L. Kaltschnee, M. Fredersdorf, V. Schmidts, R. C. Wende, P. R. Schreiner, C. M. Thiele
Uncovering Key Structural Features of an Enantioselective Peptide-Catalyzed Acylation Utilizing Advanced NMR Techniques
Angew. Chem. 2016, 128, 15986–15991, Angew. Chem. Int. Ed. 2016, 55, 15754–15759.
15 V. Schmidts
Perspectives in the Application of Residual Dipolar Couplings in the Structure Elucidation of Weakly Aligned Small Molecules
Magn. Reson. Chem. 2017, 55, 54-60.
16 S. Hansmann, V. Schmidts, C. M. Thiele
Synthesis of Poly-γ-S-2-methylbutyl-L-glutamate and Poly-γ-S 2-methylbutyl-D-glutamate and their Use as Enantiodiscriminating Alignment Media in NMR Spectroscopy
Chem. Eur. J. 2017, 23, 9114-9121.

Posters

1 C. M. Thiele, V. Schmidts, S. Leuthäußer, H. Plenio, π-face donor properties of NHCs in Grubbs-II-type complexes, Transatlantic Frontiers of Chemistry Meeting, Cranage Hall. Cheshire, UK, 08/08.
2 C. M. Thiele, V. Schmidts, S. Leuthäußer, H. Plenio, π-face donor properties of NHCs in Grubbs-II-type complexes, Orchem 2008, Weimar, 09/08.
3 B. Böttcher, V. Schmidts, C. M. Thiele, Understanding Enantioselectivity in the Palladium Catalyzed Allylic Substitution: Determination of the Conformation of the Key-Intermediate from Residual Dipolar Couplings, ENC, Asilomar 03/09.
4 B. Böttcher, V. Schmidts, C. M. Thiele, Determination of the Conformation of the Key-Intermediate of the Pd-catalyzed allylic substitution from RDCs, Euromar 2009, Göteborg/Sweden, 07/09.
5 V. Schmidts, C. M. Thiele, B. Böttcher, I. Louzao, R. Berger, A. Maliniak, B. Stevensson, Determination of conformer populations from residual dipolar couplings, Euromar 2009, Göteborg/Sweden, 07/09.
6 B. Böttcher, V. Schmidts, J. A. Raskatov, C. M. Thiele, Determination of the Conformation of the Key-Intermediate of a Pd-catalyzed allylic substitution from RDCs, Heidelberg Forum of Molecular Catalysis 2009, Heidelberg, 11/09.
7 V. Schmidts, R. Berger, C, M. Thiele, The RDC module of hotFCHT for the Analysis of Flexible Small Organic Molecules, Joint EUROMAR and 17th ISMAR Conference, Florence/Italy, 07/10.
8 B. Böttcher, V. Schmidts, J. A. Raskatov, C M. Thiele, Determination of the Conformation of the Key-Intermediate of a Pd-catalyzed allylic substitutionfrom Residual Dipolar Couplings, Joint EUROMAR and 17th ISMAR Conference, Florence/Italy, 07/10.
9 N.-C. Meyer, A. Marx, V. Schmidts, C. M. Thiele, M. Reggelin, Helically Chiral Polyacetylenes as Chiral Orienting Media for Organic Compounds, EuChems 2010, Nürnberg, 08/10.
10 V. Schmidts, R. Berger, C. M. Thiele, The RDC module of hotFCHT for the Analysis of Flexible Small Organic Molecules, GDCh FGMR 32nd Annual Discussion Meeting and Joint Benelux/German MR Conference 2010, Münster, 09/10.
11 V. Schmidts, R. Berger, C. M. Thiele, Determination of Conformer Populations in Small Organic Molecules based on Residual Dipolar Couplings, 52nd Experimental NMR Conference, Asilomar/California/USA, 04/11.
12 V. Schmidts, M. Fredersdorf, T. Lübken, A. Porzel, C. M. Thiele, L. Wessjohann, RDC-based Determination of the Relative Configuration of the Fungicidal Cyclopentenone 'Hygrophorone A', Joint EUROMAR and GDCh FGMR 33rd Annual Discussion Meeting, Frankfurt, 08/11.
13 N.-C. Meyer, A. Krupp, V. Schmidts, C. M. Thiele, M. Reggelin, Helical Chiral Polyacetylenes as Highly Enantiodifferentiating Orienting Media for Organic Compounds, 14th IUPAC Conference on Polymers and Organic Chemistry, Doha/Quatar, 01/12.
14 L. Kaltschnee, V. Schmidts, J. A. Aguilar, A. A. Colbourne, R. W. Adams, M. Nilsson, G. A. Morris, C. M. Thiele, Cross-relaxation rates from pure shift NOESY spectra, EUROMAR 2012, Dublin/Ireland, 07/12.
15 A. Kolmer, L. Kaltschnee, M. Haus, V. Schmidts, L. H. Peeck, H. Plenio, C. M. Thiele, The influence of electronic modifications on dynamics and reactivity of Bis-NHC-complexes as observed by NMR spectroscopy, EUROMAR 2012, Dublin/Ireland, 07/12.
16 N.-C. Meyer, A. Krupp, V. Schmidts, C. M. Thiele, M. Reggelin, Searching for the Source of Enantiodifferenting Alignment in Lytropic Liquid Cristalline Phase of Helically Chiral Polyacetylenes, SMASH 2012, Providence/Rhode Island/USA, 09/12.
17 N.-C. Meyer, A. Krupp, V. Schmidts, C. M. Thiele, M. Reggelin, Quantification of enantiodifferentiation in new polyacetylene-based alignment media, GDCh FGMR 34th Annual Discussion Meeting, Halle, 09/12.
18 L. Kaltschnee, V. Schmidts, J. A. Aguilar, A. A. Colbourne, R. W. Adams, M. Nilsson, G. A. Morris, C. M. Thiele, Cross-relaxation rates from pure shift NOESY spectra, GDCh FGMR 34th Annual Discussion Meeting, Halle, 09/12.
19 A. Kolmer, L. Kaltschnee, M. Haus, V. Schmidts, L. H. Peeck, H. Plenio, C. M. Thiele, The influence of electronic modifications on dynamics and reactivity of Bis-NHC-complexes as observed by NMR spectroscopy, GDCh FGMR 34th Annual Discussion Meeting, Halle, 09/12.
20 V. Schmidts, R. Berger, C. M. Thiele, Analysis of Residual Dipolar Couplings in Weakly Aligned, Small Organic Molecules, Wissenschaftsforum Chemie, Darmstadt, 09/13.
21 V. Schmidts, S. Knauer, S. Hörner, O. Avrutina, H. Kolmar, C. M. Thiele, NMR spectroscopic Characterization of Unsymmetrical Cube-Octameric Silsesquioxanes (COSS), GDCh FGMR 35th Annual Discussion Meeting, Frauenchiemsee, 09/13.
22 V. Schmidts, S. Knauer, S. Hörner, O. Avrutina, H. Kolmar, C. M. Thiele, NMR spectroscopic Characterization of Unsymmetrical Cube-Octameric Silsesquioxanes (COSS), SMASH 2013, Santiago de Compostela/Spain, 09/13
23 V. Bagutski, V. Schmidts, L.-G. Xie, D. Audisio, L. Wolf, K. Hofmann, C. Wirtz, W. Thiel, N. Maulide, C. M. Thiele, Dynamic Behavior of a Monohaptoallylpalladium Species investigated by Residual Dipolar Couplings (RDCs) and NOE/Exchange Spectroscopy, Orchem 2014, Weimar, 09/14.
24 V. Bagutski, V. Schmidts, L.-G. Xie, D. Audisio, L. Wolf, K. Hofmann, C. Wirtz, W. Thiel, N. Maulide, C. M. Thiele, Studies of the dynamic behavior of a monohaptoallylpalladium species by EXSY and RDCs, GDCh FGMR 36th Annual Discussion Meeting, Berlin, 10/14.
25 V. Schmidts, V. Rittscher, S. Immel, M. Rehahn, C. M. Thiele, Identification and Characterization of Side Products in the Gilch-Synthesis of Poly(ortho-Phenylene Vinylene)s, EUROMAR 2016, Aarhus/Denmark, 07/16.