Sustainable Chemistry and Quantum Technologies


Group Agenda

ReDivaLan      RelaxMax     NiCatEther

LanAsCat     PhiBond


28. Structure and Bonding Patterns in Heterometallic Organometallics with linear Ln-Pd-Ln motifs 

Cemortan V., Simler T., Moutet J., Jaoul A., Clavaguéra C.,* Nocton G.*
Chem. Sci., 2023, DOI:10.26434/chemrxiv-2022-n4fbb

27. Back to the future of organolanthanide chemistry

Mahieu N., Piatkowski, J., Simler T.,* Nocton G.*
Chem. Sci., 2023, DOI: 10.1039/D2SC05976B

Highlighted as 2022 ChemSci Pick of the week collection
Highlighted in the 2022 Chemical Science HOT article collection

26. CO Reductive Oligomerization by a Divalent Thulium Complex and CO2-Induced Functionalization

Simler T.,* McCabe K. M., Maron L., Nocton G.*
Chem. Sci. 2022, 13, 7449-7461. DOI: 10.1039/D2SC01798A

Highlighted as 2022 ChemSci Pick of the week collection and
Highlighted in the 2022 Chemical Science HOT article collection

Highlighted in Chemistryworld

25. Application of the Redox-Transmetallation Procedure to Access Divalent Lanthanide and Alkaline-Earth NHC Complexes

N. Schwarz, X. Sun, R. Yadav, R. Köppe, T. Simler,* P. W. Roesky*
Chem. Eur. J. 2021, 27, 12857-12865. DOI: 10.1002/chem.202101923

24. Thermally Stable Rare-Earth Metal Complexes Supported by Chelating Silylene Ligands

X. Sun, T. Simler, F. Kraetschmer, P. W. Roesky*
Organometallics 2021, 40, 2100-2017. DOI: 10.1021/acs.organomet.1c00238

23. Intermediate valence states in lanthanides compounds

Tricoire M., Mahieu N., Simler T.*, Nocton, G.*
Chem. Eur. J., 2021, 27, 6860. DOI: 10.1002/chem.202004735

22. Influence of a Lanthanide Ion on the Ni Site of a Heterobimetallic 3d-4f Mabiq Complex

Boyce S., Moutet J., Niederegger L., Simler T., Nocton G.* Hess C.*
Inorg. Chem., 2021, 60, 403. DOI: 10.1021/acs.inorgchem.0c03058

21. Bis-cyclooctatetraenyl Thulium(II): Highly Reducing Lanthanide Sandwich Single Molecule Magnets

Moutet J., Schleinitz J., La Droitte L., Tricoire M., Gendron F., Simler T., Clavaguéra C., Le Guennic B., Cador O., Nocton, G.*
Angew. Chem. Int. Ed., 2021, 60, 6042. DOI: 10.1002/anie.202015428
Press CNRS

20. Synthesis and Reactivity of Bis(silylene)-Coordinated Calcium and Divalent Lanthanide Complexes

X. Sun, T. Simler, K. Reiter, F. Weigend, P. W. Roesky*
Chem. Eur. J. 2020, 26, 14888-14895. DOI: 10.1002/chem.202003417
Cover feature DOI: 10.1002/chem.202004121

19. A bis(germylene) functionalized metal-coordinated polyphosphide and its isomerization

R. Yadav, B. Goswami, T. Simler, C. Schoo, S. Reichl, M. Scheer, P. W. Roesky*
Chem. Commun. 2020, 56, 10207-10210. DOI: 10.1039/D0CC03920A

18. 3d-4f heterometallic complexes by the reduction of transition metal carbonyls with bulky LnII amidinates

R. Yadav, M. E. Hossain, R. P. Paramban, T. Simler, C. Schoo, J. Wang, G. B. Deacon, P. C. Junk, P. W. Roesky*
Dalton Trans. 2020, 49, 7701-7707. DOI: 10.1039/D0DT01271H
Front Cover DOI: 10.1039/D0DT90110E

17. Regioselective Insertion of Aluminium(I) in the cyclo-P5 Ring of Pentaphosphaferrocene

R. Yadav, T. Simler, B. Goswami, C. Schoo, R. Köppe, S. Dey, P. W. Roesky*
Angew. Chem. Int. Ed. 2020, 59, 9443-9447. DOI: 10.1002/anie.202002774

16. Highly Selective Substitution and Insertion Reactions of Silylenes in a Metal Coordinated Polyphosphide

R. Yadav, T. Simler, S. Reichl, B. Goswami, C. Schoo, R. Köppe, M. Scheer,* P. W. Roesky* 
J. Am. Chem. Soc., 2020, 142, 1190-1195. DOI: 10.1021/jacs.9b12151

15. A Stable Aromatic Tetrasilacyclobutadiene Dication

X. Sun,# T. Simler,# R. Yadav, R. Köppe, P. W. Roesky* (# equal contribution of the two authors)
J. Am. Chem. Soc., 2019, 141, 14987-14990. DOI: 10.1021/jacs.9b08018

14. Mono- and Dinuclear Coinage Metal Complexes Supported by an Imino-Pyridine-NHC Ligand: Structural and Photophysical Studies

T. Simler,* K. Möbius, K. Müller, T. J. Feuerstein, M. T. Gamer, S. Lebedkin, M. M. Kappes, P. W. Roesky*
Organometallics, 2019, 38, 3649-3661. DOI: 10.1021/acs.organomet.9b00449

13. Reaction of an Arsinoamide with Chloro Tetrylenes: Substitution and As-N Bond Insertion 

X. Chen, T. Simler, R. Yadav, M. T. Gamer, R. Köppe, P. W. Roesky*
Chem. Commun. 2019, 55, 9315-9318. DOI: 10.1039/C9CC04530A

12. Rhenium is different: CO tetramerization induced by a divalent lanthanide complex in rhenium carbonyls

R. Yadav, T. Simler, M. T. Gamer, R. Köppe, P. W. Roesky*
Chem. Commun. 2019, 55, 5765-5768. DOI: 10.1039/C9CC02350J
Inside Front Cover: DOI: 10.1039/C9CC90219H

11. N-Heterocyclic Carbene Complexes of Copper, Nickel and Cobalt

A. A. Danopoulos,* T. Simler,* P. Braunstein* 
Chem. Rev. 2019, 119, 3730-3961. DOI: 10.1021/acs.chemrev.8b00505

10. Access to divalent lanthanide NHC complexes by redox-transmetallation from silver and CO2 insertion reactions 

T. Simler,* T. Feuerstein, R. Yadav, P. W. Roesky*
Chem. Commun. 2019, 55, 222-225. DOI: 10.1039/C8CC08120D

9. Reactivity of a dearomatised pincer CoIIBr complex with PNCNHC donors: alkylation and Si–H bond activation via metal–ligand cooperation

T. Simler,* S. Choua, A. A. Danopoulos,* P. Braunstein*
Dalton Trans. 2018, 47, 7888-7895. DOI: 10.1039/C8DT01279B
Front Cover: DOI: 10.1039/C8DT90102C

8. Non-symmetrical, potentially redox non-innocent imino NHC pyridine ‘pincers’ via a zinc ion template-assisted synthesis

T. Simler, A. A. Danopoulos,* P. Braunstein* 
Dalton Trans. 2017, 46, 5955-5964. DOI: 10.1039/C7DT01014A

7. Chromium(II) Pincer Complexes with Dearomatized PNP and PNC Ligands: A Comparative Study of their Catalytic Ethylene Oligomerization Activity

T. Simler, P. Braunstein* and A. A. Danopoulos*
Organometallics, 2016, 35, 4044-4049. DOI: 10.1021/acs.organomet.6b00685 
Front Cover

6. Potassium and lithium complexes with mono-deprotonated, dearomatized PNP and PNCNHC pincer-type ligands

T. Simler, L. Karmazin, C. Bailly, P. Braunstein,* A. A. Danopoulos*
Organometallics, 2016, 35, 903-912. DOI: 10.1021/acs.organomet.6b00048

5. Coinage metal complexes with bridging hybrid phosphine-NHC ligands: synthesis of di- and tetra-nuclear complexes

T. Simler, P. Braunstein,* A. A. Danopoulos* 
Dalton Trans. 2016, 45, 5122-5139. DOI: 10.1039/C6DT00275G

4. Direct synthesis of doubly deprotonated, dearomatised lutidine PNP Cr and Zr pincer complexes based on isolated K and Li ligand transfer reagents

T. Simler, G. Frison, P. Braunstein,* A. A. Danopoulos* 
Dalton Trans. 2016, 45, 2800-2804. DOI: 10.1039/C6DT00144K

3. Relative lability and chemoselective transmetallation of NHC in hybrid phosphine–NHC ligands: access to heterometallic complexes

T. Simler, P. Braunstein,* A. A. Danopoulos*
Angew. Chem. Int. Ed. 2015, 54, 13691-13695. DOI: 10.1002/anie.201505958

2. N-Heterocyclic carbene–phosphino-picolines as precursors of anionic ‘pincer’ ligands with dearomatised pyridine backbones; transmetallation from potassium to chromium

T. Simler, A. A. Danopoulos,* P. Braunstein* 
Chem. Commun. 2015, 51, 10699-10702. DOI: 10.1039/C5CC02920A

1. Electrochemical and infrared spectroscopic studies provide insight into reactions of the NiFe regulatory hydrogenase from Ralstonia eutropha with O2 and CO

P. A. Ash, J. Liu, N. Coutard, N. Heidary, M. Horch, I. Gudim, T. Simler, I. Zebger, O. Lenz,* K. A. Vincent* 
J. Phys. Chem. B 2015, 119, 13807-13815. DOI: 10.1021/acs.jpcb.5b04164