An Open-Shell Singlet Sn(I) Diradical and H2 Splitting.

Ghadwal R, Sharma MK, Rottschäfer D, Glodde T, Neumann B, Stammler H-G (2021)
Angewandte Chemie International Edition 60(12): 6414-6418.

Zeitschriftenaufsatz | Veröffentlicht | Englisch
 
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Abstract / Bemerkung
The first Sn(I) diradical [(ADC Ph )Sn] 2 ( 4 ) based on an anionic dicarbene (ADC Ph = {CN(Dipp)} 2 CPh; Dipp = 2,6- i Pr 2 C 6 H 3 ) scaffold has been isolated as a green crystalline solid by KC 8 reduction of the corresponding bis-chlorostannylene [(ADC Ph )SnCl] 2 ( 3 ). The six-membered C 4 Sn 2 -ring of 4 containing 6pi-electrons shows a diatropic ring current, thus 4 may also be regarded as the first 1,4-distannabenzene derivative. DFT calculations suggest an open-shell singlet (OS) ground state of 4 with a remarkably small singlet-triplet energy gap (Delta E OS-T = 4.4 kcal/mol), which is consistent with CASSCF (Delta E S-T = 6.6 kcal/mol and diradical character y = 37%) calculations. The diradical 4 splits H 2 at room temperature to yield the bis-hydridostannylene [(ADC Ph )SnH] 2 ( 5 ). Further reactivity of 4 has been studied with PhSeSePh and MeOTf. © 2021 Wiley-VCH GmbH.
Erscheinungsjahr
2021
Zeitschriftentitel
Angewandte Chemie International Edition
Band
60
Ausgabe
12
Seite(n)
6414-6418
eISSN
1521-3773
Finanzierungs-Informationen
Open-Access-Publikationskosten wurden durch die Universität Bielefeld im Rahmen des DEAL-Vertrags gefördert.
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https://pub.uni-bielefeld.de/record/2950409

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Ghadwal R, Sharma MK, Rottschäfer D, Glodde T, Neumann B, Stammler H-G. An Open-Shell Singlet Sn(I) Diradical and H2 Splitting. Angewandte Chemie International Edition. 2021;60(12):6414-6418.
Ghadwal, R., Sharma, M. K., Rottschäfer, D., Glodde, T., Neumann, B., & Stammler, H. - G. (2021). An Open-Shell Singlet Sn(I) Diradical and H2 Splitting. Angewandte Chemie International Edition, 60(12), 6414-6418. https://doi.org/10.1002/anie.202017078
Ghadwal, R., Sharma, M. K., Rottschäfer, D., Glodde, T., Neumann, B., and Stammler, H. - G. (2021). An Open-Shell Singlet Sn(I) Diradical and H2 Splitting. Angewandte Chemie International Edition 60, 6414-6418.
Ghadwal, R., et al., 2021. An Open-Shell Singlet Sn(I) Diradical and H2 Splitting. Angewandte Chemie International Edition, 60(12), p 6414-6418.
R. Ghadwal, et al., “An Open-Shell Singlet Sn(I) Diradical and H2 Splitting.”, Angewandte Chemie International Edition, vol. 60, 2021, pp. 6414-6418.
Ghadwal, R., Sharma, M.K., Rottschäfer, D., Glodde, T., Neumann, B., Stammler, H.-G.: An Open-Shell Singlet Sn(I) Diradical and H2 Splitting. Angewandte Chemie International Edition. 60, 6414-6418 (2021).
Ghadwal, Rajendra, Sharma, Mahendra Kumar, Rottschäfer, Dennis, Glodde, Timo, Neumann, Beate, and Stammler, Hans-Georg. “An Open-Shell Singlet Sn(I) Diradical and H2 Splitting.”. Angewandte Chemie International Edition 60.12 (2021): 6414-6418.
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2021-03-15T07:56:09Z
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