Journal
ACS NANO
Volume 10, Issue 3, Pages 3809-3815Publisher
AMER CHEMICAL SOC
DOI: 10.1021/acsnano.6b00567
Keywords
chiral semiconductor nanocrystals; ligand-induced optical activity; circular dichroism; nanoparticles; quantum chemical simulations; density functional theory; quantum dots
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Funding
- U.S. Department of Energy, Office of Basic Energy Sciences [DE-FG02-10ER46728]
- National Science Foundation [CBET-1403947, DGE-0948027]
- U.S. Department of Energy [DE-FG02-10ER46728]
- Direct For Education and Human Resources
- Division Of Graduate Education [0948027] Funding Source: National Science Foundation
- Directorate For Engineering
- Div Of Chem, Bioeng, Env, & Transp Sys [1403226] Funding Source: National Science Foundation
- Div Of Chem, Bioeng, Env, & Transp Sys
- Directorate For Engineering [1403947] Funding Source: National Science Foundation
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L-cysteine derivatives induce and modulate the optical activity of achiral cadmium selenide (CdSe) and cadmium sulfide (CdS) quantum dots (QDs). Remarkably, N-acetyl-L-cysteine-CdSe and L-homocysteine-CdSe as well as N-acetyl-L-cysteine-CdS and L-cysteine-CdS showed mirror image circular dichroism (CD) spectra regardless of the diameter of the QDs. This is an example of the inversion of the CD signal of QDs by alteration of the ligand's structure, rather than inversion of the ligand's absolute configuration. Non-empirical quantum chemical simulations of the CD spectra were able to reproduce the experimentally observed sign patterns and demonstrate that the inversion of chirality originated from different binding arrangements of N-acetyl-Lcysteine and L-homocysteine-CdSe to the QD surface. These efforts may allow the prediction of the ligand-induced chiroptical activity of QDs by calculating the specific binding modes of the chiral capping ligands. Combined with the large pool of available chiral ligands, our work opens a robust approach to the rational design of chiral semiconducting nanomaterials.
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