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Electronic Structure and Excited-State Dynamics of DNA-Templated Monomers and Aggregates of Asymmetric Polymethine Dyes
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Exciton Delocalization and Scaffold Stability in Bridged Nucleotide-Substituted, DNA Duplex-Templated Cyanine Aggregates
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Aggregation Patterns in Low- and High-Charge Anions Define Opposite Solubility Trends
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Designing Highly Luminescent Molecular Aggregates via Bottom-Up Nanoscale Engineering
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Supramolecular Lattice Deformation and Exciton Trapping in Nanotubular J-Aggregates
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Formation of Unusual Deprotomers of Citric Acid and Sodium Citrate Aggregates: A Photoelectron Spectroscopy and Computational Study
Given multiple distinct deprotonation sites and flexible structural conformation in citric acid (CA), the intrinsic interaction between protons, sodium cations and citrate anions deems complicated. In this work, we address this issue by combining photoelectron spectroscopy and theoretical modeling on a series of gaseous sodium citrate anion clusters with progressive substitution of protons with sodium cations [(CA-nH)·(n-1)Na]- (n = 1-3). Despite markedly different pKa values for the central (C, 3.28), terminal carboxylic (T, 5.98) and hydroxyl group (O, 18.44), our study reveals experimental observation of all three distinct deprotomers in [CA-1H]- with deprotonation from hydroxyl energetically competitive. Upon Na+ binding to the doubly or triply deprotonated CA, only one kind of deprotonation tautomer, respectively TC or TTC, is experimentally accessible. Moreover, a dianionic dimer [(CA-3H)·2Na]22- is observed. This work displays a diverse binding landscape among protons, sodium and citrate species in the gas phase, advancing our understanding of sodium citrate chemistry.
Synergistic Role of Temperature and Salinity in Aggregation of Nonionic Surfactant-Coated Silica Nanoparticles
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Understanding the Aggregation and Flow Response of Donor–Acceptor Conjugated Polymers
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