2019
DOI: 10.1063/1.5124690
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Compact quantum dot surface modification to enable emergent behaviors in quantum dot-DNA composites

Abstract: Quantum dot (QD) biological imaging and sensing applications often require surface modification with single-stranded deoxyribonucleic acid (ssDNA) oligonucleotides. Furthermore, ssDNA conjugation can be leveraged for precision QD templating via higher-order DNA nanostructures to exploit emergent behaviors in photonic applications. Use of ssDNA-QDs across these platforms requires compact, controlled conjugation that engenders QD stability over a wide pH range and in solutions of high ionic strength. However, cu… Show more

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Cited by 7 publications
(13 citation statements)
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“…Thus, in a first stage, we have calculated (Table 1) the vertical excitation energies of the lowlying singlet and triplet states of the azide with respect to the minimum of the ground state (S 0 );in addition, Table 1 collects the character of the most relevant electronic configurations and the associated oscillator strengths of the singlet states or spin orbit coupling constants (T n /S 0 : n = 0,1) for the triplet states, respectively. Vertically, the lowest excited state (4.19 eV: 97 kcal/mol) corresponds to the first triplet state [T 0 : 1 3 A"] and just above it (4.49 eV: 103 kcal/mol), we have found the first excited singlet state [S 1 : 1 1 A"], whose oscillator strength amounts to ~9 10 -4 . Secondly, in accordance with the linear interpolation method (see above), we have determined the potential energy curves (PECs) for the dissociation processes of the electronic states of Table 1 that would lead to the formation of nitrene species and molecular nitrogen (Fig.…”
Section: Mechanism Of the Dissociation Of Isopropyl Azide From The Casscf Multiconfigurational Perspectivementioning
confidence: 74%
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“…Thus, in a first stage, we have calculated (Table 1) the vertical excitation energies of the lowlying singlet and triplet states of the azide with respect to the minimum of the ground state (S 0 );in addition, Table 1 collects the character of the most relevant electronic configurations and the associated oscillator strengths of the singlet states or spin orbit coupling constants (T n /S 0 : n = 0,1) for the triplet states, respectively. Vertically, the lowest excited state (4.19 eV: 97 kcal/mol) corresponds to the first triplet state [T 0 : 1 3 A"] and just above it (4.49 eV: 103 kcal/mol), we have found the first excited singlet state [S 1 : 1 1 A"], whose oscillator strength amounts to ~9 10 -4 . Secondly, in accordance with the linear interpolation method (see above), we have determined the potential energy curves (PECs) for the dissociation processes of the electronic states of Table 1 that would lead to the formation of nitrene species and molecular nitrogen (Fig.…”
Section: Mechanism Of the Dissociation Of Isopropyl Azide From The Casscf Multiconfigurational Perspectivementioning
confidence: 74%
“…3a. There also exists a minimum energy geometry on the surface of the first excited singlet S 1 (M1: 1 1 A" [Fig. 3b]) state which lies 40.7 kcal/mol below the 1 1 A'1 It is worth noting that the spatial separation between TS0 and ISC0 is only 0.02 Å measured in Cartesian coordinates, a feature that should be important in the dynamics of dissociation through the spin-forbidden channel, given that this fact would imply an enhancement of the probability of intersystem crossing.…”
Section: Mechanism Of the Dissociation Of Isopropyl Azide From The Casscf Multiconfigurational Perspectivementioning
confidence: 99%
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