Journal article

Authors list: Hanau, K; Schwan, S; Schäfer, MR; Müller, MJ; Dues, C; Rinn, N; Sanna, S; Chatterjee, S; Mollenhauer, D; Dehnen, S

Publication year: 2021

Pages: 1176-1186

Journal: Angewandte Chemie International Edition

Volume number: 60

Issue number: 3

ISSN: 1433-7851

Open access status: Hybrid

DOI Link: https://doi.org/10.1002/anie.202011370

Publisher: Wiley

Abstract: 
We report the extension of the class of organotetrel sulfide clusters with further examples of the still rare silicon-based species, synthesized from RSiCl3 with R=phenyl (Ph, I), naphthyl (Np, II), and styryl (Sty, III) with Na2S. Besides known [(PhSi)(4)S-6] (IV), new compounds [(NpSi)(4)S-6] (1) and [(StySi)(4)S-6] (2) were obtained, the first two of which underwent reactions with [AuCl(PPh3)] to form ternary complexes. DFT studies of cluster dimers helped us understand the differences between the habit of {Si4S6}- and {Sn4S6}-based compounds. Crystalline 1 showed a pronounced nonlinear optical response, while for intrinsically amorphous 2, the chemical damage threshold seems to inhibit a corresponding observation. Calculations within the independent particle approximation served to rationalize and compare electronic and optical excitations of [(RSi)(4)S-6] clusters (R=Ph, Np). The calculations reproduced the measured data and allowed for the interpretation of the main spectroscopic features.

Harvard Citation style: Hanau, K., Schwan, S., Schäfer, M., Müller, M., Dues, C., Rinn, N., et al. (2021) Towards Understanding the Reactivity and Optical Properties of Organosilicon Sulfide Clusters, Angewandte Chemie International Edition, 60(3), pp. 1176-1186. https://doi.org/10.1002/anie.202011370

APA Citation style: Hanau, K., Schwan, S., Schäfer, M., Müller, M., Dues, C., Rinn, N., Sanna, S., Chatterjee, S., Mollenhauer, D., & Dehnen, S. (2021). Towards Understanding the Reactivity and Optical Properties of Organosilicon Sulfide Clusters. Angewandte Chemie International Edition. 60(3), 1176-1186. https://doi.org/10.1002/anie.202011370