Ligand induced circular dichroism and circularly polarized luminescence in CdSe quantum dots.
Urice Tohgha,Kirandeep K. Deol,Ashlin G. Porter,Samuel G. Bartko,Jung Kyu Choi,Brian M. Leonard,Krisztina Varga,Jan Kubelka,Gilles Muller,Milan Balaz +9 more
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TLDR
Time Dependent Density Functional Theory (TDDFT) calculations verified that attachment of L- and D-cysteine to the surface of model (CdSe)13 nanoclusters induces measurable opposite CD signals for the exitonic band of the nanocluster.Abstract:
Chiral thiol capping ligands l- and d-cysteines induced modular chiroptical properties in achiral cadmium selenide quantum dots (CdSe QDs). Cys-CdSe prepared from achiral oleic acid capped CdSe by postsynthetic ligand exchange displayed size-dependent electronic circular dichroism (CD) and circularly polarized luminescence (CPL). Opposite CPL signals were measured for the CdSe QDs capped with d- and l-cysteine. The CD profile and CD anisotropy varied with size of CdSe nanocrystals with largest anisotropy observed for CdSe nanoparticles of 4.4 nm. Magic angle spinning solid state NMR (MAS ssNMR) experiments suggested bidentate interaction between cysteine and the surface of CdSe. Time Dependent Density Functional Theory (TDDFT) calculations verified that attachment of l- and d-cysteine to the surface of model (CdSe)13 nanoclusters induces measurable opposite CD signals for the exitonic band of the nanocluster. The origin of the induced chirality is consistent with the hybridization of highest occupied CdSe...read more
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Circularly Polarized Luminescence in Chiral Molecules and Supramolecular Assemblies.
TL;DR: This Perspective highlights the recent experimental and theoretical developments in the field of chiral organic chromophoric systems and their self-assembly, that has produced promising results toward the enhancement of glum values in CPL.
Journal ArticleDOI
Circularly Polarized Luminescence in Nanoassemblies: Generation, Amplification, and Application.
Yutao Sang,Jianlei Han,Tonghan Zhao,Tonghan Zhao,Pengfei Duan,Pengfei Duan,Minghua Liu,Minghua Liu +7 more
TL;DR: The present status and progress of self-assembled nanomaterials with CPL activity are reviewed and an overview of the key factors in regulating chiral emission materials at the supramolecular level will largely boost their application in multidisciplinary fields.
Journal ArticleDOI
Circularly Polarized Luminescence: A Review of Experimental and Theoretical Aspects
TL;DR: The calculations aimed at interpreting the CPL spectra, mostly based on time-dependent Density Functional Theory (TD-DFT) calculations, which started around 2010, are reviewed, limiting the discussion to small to mid-sized molecules.
Journal ArticleDOI
Chiral Graphene Quantum Dots.
Nozomu Suzuki,Yichun Wang,Paolo Elvati,Zhibei Qu,Kyoungwon Kim,Shuang Jiang,Elizabeth Baumeister,Jaewook Lee,Bongjun Yeom,Bongjun Yeom,Joong Hwan Bahng,Jaebeom Lee,Angela Violi,Nicholas A. Kotov +13 more
TL;DR: It is reported that covalent attachment of l/d-cysteine moieties to the edges of graphene quantum dots (GQDs) leads to their helical buckling due to chiral interactions at the "crowded" edges.
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Self‐Assembled Luminescent Quantum Dots To Generate Full‐Color and White Circularly Polarized Light
TL;DR: This work provides new insight into the design of functional chiroptical materials by proposing an alternative to the use of chiral capping reagents on QDs for the fabrication of CPL-active QDs that is based on the supramolecular self-assembly of achiral QDs with chiral gelators.
References
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TL;DR: A simple derivation of a simple GGA is presented, in which all parameters (other than those in LSD) are fundamental constants, and only general features of the detailed construction underlying the Perdew-Wang 1991 (PW91) GGA are invoked.
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Experimental Determination of the Extinction Coefficient of CdTe, CdSe, and CdS Nanocrystals
TL;DR: In this article, the extinction coefficient per mole of nanocrystals at the first exitonic absorption peak, e.g., for high-quality CdTe, CdSe, and CdS, was found to be strongly dependent on the size of the nanocrystal, between a square and a cubic dependence.
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Basis set exchange: a community database for computational sciences.
Karen Schuchardt,Brett T. Didier,Todd O. Elsethagen,Lisong Sun,Vidhya Gurumoorthi,Jared M. Chase,Jun Li,Theresa L. Windus +7 more
TL;DR: The Basis Set Exchange (BSE) is described, a Web portal that provides advanced browsing and download capabilities, facilities for contributing basis set data, and an environment that incorporates tools to foster development and interaction of communities.
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Relativistic compact effective potentials and efficient, shared-exponent basis sets for the third-, fourth-, and fifth-row atoms
TL;DR: Relativistic compact effective potentials (RCEP) as mentioned in this paper were derived from numerical Dirac-Fock atomic wavefunctions using shape-constrained shapes.
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Chemical shift referencing in MAS solid state NMR.
Corey R. Morcombe,Kurt W. Zilm +1 more
TL;DR: Solid state and liquid phase NMR shifts obtained by magic angle spinning with external referencing agree with those measured using typical solution NMR hardware with the sample tube aligned with the applied field as long as magnetic susceptibility corrections and solvent shifts are taken into account.