Matches in SemOpenAlex for { <https://semopenalex.org/work/W2014717757> ?p ?o ?g. }
- W2014717757 endingPage "8218" @default.
- W2014717757 startingPage "8210" @default.
- W2014717757 abstract "Structural, electronic, and optical properties of the thiolate-protected Au(38)(SR)(24) cluster are studied by density-functional theory computations (R = CH(3) and R = C(6)H(13)) and by powder X-ray crystallography (R = C(12)H(25)). A low-energy structure which can be written as Au(23)@(Au(SR)(2))(3)(Au(2)(SR)(3))(6) having a bi-icosahedral core and a chiral arrangement of the protecting gold-thiolate Au(x)(SR)(y) units yields an excellent match between the computed (for R = C(6)H(13)) and measured (for R = C(12)H(25)) powder X-ray diffraction function. We interpret in detail the electronic structure of the Au(23) core by using a particle-in-a-cylinder model. Although the alkane thiolate ligands are achiral, the chiral structure of the ligand layer yields strong circular dichroism (CD) in the excitations below 2.2 eV for Au(38)(SCH(3))(24). Our calculated CD spectrum is in quantitative agreement with the previously measured low-energy CD signal of glutathione-protected Au(38)(SG)(24). Our study demonstrates a new mechanism for the strong chiral response of thiolate-protected gold clusters with achiral metal cores and ligands." @default.
- W2014717757 created "2016-06-24" @default.
- W2014717757 creator A5011230883 @default.
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- W2014717757 creator A5020126853 @default.
- W2014717757 creator A5021542072 @default.
- W2014717757 creator A5032181533 @default.
- W2014717757 date "2010-05-25" @default.
- W2014717757 modified "2023-10-11" @default.
- W2014717757 title "Chirality and Electronic Structure of the Thiolate-Protected Au<sub>38</sub> Nanocluster" @default.
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