In:
Angewandte Chemie International Edition, Wiley, Vol. 60, No. 3 ( 2021-01-18), p. 1176-1186
Kurzfassung:
We report the extension of the class of organotetrel sulfide clusters with further examples of the still rare silicon‐based species, synthesized from RSiCl 3 with R=phenyl (Ph, I ), naphthyl (Np, II ), and styryl (Sty, III ) with Na 2 S. 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(PPh 3 )] to form ternary complexes. DFT studies of cluster dimers helped us understand the differences between the habit of {Si 4 S 6 }‐ and {Sn 4 S 6 }‐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.
Materialart:
Online-Ressource
ISSN:
1433-7851
,
1521-3773
DOI:
10.1002/anie.202011370
Sprache:
Englisch
Verlag:
Wiley
Publikationsdatum:
2021
ZDB Id:
2011836-3
ZDB Id:
123227-7
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