Notes

Global minimum searches and comparison between experiment and theory show that PrB7- has a half-sandwich structure with C6v symmetry
Synthesis of 6-butyl-n-hydroxynaphthimide trifluoromethanesulfonic acid and its Variants bonding analyses show that PrB7- can be viewed as a PrII [η7 -B73- ] complex with three unpaired electrons, corresponding to a Pr (4f2 6s1 ) open-shell configuration. Upon detachment of the 6s electron, the neutral PrB7 cluster is a highly stable PrIII [η7 -B73- ] complex with Pr in its favorite +3 oxidation state. The B73- ligand is found to be highly stable and doubly aromatic with six delocalized π and six delocalized σ electrons and should exist for a series of lanthanide MIII [η7 -B73- ] complexes.© 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.Non-aromatic annulene-based aggregation-induced emission system via aromaticity Research Center for Tissue Restoration and Reconstruction, Institute of Molecular Functional Materials, Division of Life Science and State Key Laboratory of Molecular Neuroscience, The Hong Kong University of Science and Materials, Key Laboratory of Cluster Science of Ministry of Education, School of Chemistry and Chemical Engineering, Beijing Institute of Technology, 100081, Development, Shenzhen Research Institute, No.

9 Yuexing 1st RD, South Area, Research Center for Tissue Restoration and Reconstruction, Institute of Molecular Functional Materials, Division of Life Science and State Key Laboratory of Molecular Neuroscience, The Hong Kong University of Science and Development, Shenzhen Research Institute, No. 9 Yuexing 1st RD, South Area, (12)NSFC Center for luminescence from Molecular Aggregates, SCUT-HKUST Joint Research Institute, State Key Laboratory of Luminescent Materials and Devices, Aggregation-induced emission (AIE) is a photophysical phenomenon correlated closely with the excited-state intramolecular motions. Although AIE has attracted increasing attention due to the significant applications in biomedical and optoelectronics, an in-depth understanding of the excited-state intramolecular motion has yet to be fully developed. Here we found the non-aromatic annulene derivative of cyclooctatetrathiophene shows typical AIE phenomenon in spite of its rotor-free structure. The underlying mechanism is investigated through photoluminescence spectra, time-resolved absorption spectra, theoretical calculations, circular dichroism as well as by pressure-dependent fluorescent spectra etc., which indicate that the aromaticity reversal from ground state to the excited state serves as a driving force for inducing the excited-state intramolecular vibration, leading to the AIE phenomenon. Therefore, aromaticity reversal is demonstrated as a reliable strategy to develop vibrational AIE systems.

This work also provides a new viewpoint to understand the excited-state intramolecular motion behavior of Aromatic and hydrophobic surfaces of wood-derived biochar enhance perchlorate adsorption via hydrogen bonding to oxygen-containing organic groups.Organic Pollution Process and Control, Zhejiang University , Hangzhou, Zhejiang The pH-dependent adsorption of perchlorate (ClO4(-)) by wood-derived biochars produced at 200-700 °C (referred as FB200-FB700) was investigated to probe the anion retention mechanisms of biochars and to identify the interactions of water and biochar. ClO4(-) adsorption was controlled by the surface polarities and structural compositions of the organic components of biochars, rather than their inorganic mineral components. Light-Activated Acid Producer -FB700 biochars with low polarity and high aromaticity displayed a superior ClO4(-) adsorption capacity, but which was affected by solution pH. Besides electrostatic interaction, hydrogen bonding to oxygen-containing groups on biochars was proposed the dominant force for perchlorate adsorption, which led to the maximum adsorption occurring near pHIEP, where surface charge equals zero. The dissociation of these surface oxygen-containing groups was monitored by zeta potential curves, which indicated that the H-bonds donors on biochar surface for ClO4(-) binding were changed from -COOH (ClO4(-)···HOOC-) and -OH (ClO4(-)···HO-) to -OH alone with an increase in pH. The H-bond force was strengthened by the condensed aromatic surfaces, since high temperature biochars provided a hydrophobic microenvironment to accommodate weakly hydrated perchlorate and facilitated the H-bonds for ClO4(-) binding to functional groups by the large π subunit of their aromatic substrate.

Lastly, the batch and column tests of ClO4(-) adsorption showed that biochars like FB700 are effective adsorbents for anion pollutant removal via H-bonding interaction.Polygonal current models for polycyclic aromatic hydrocarbons and graphene del Fosso del Cavaliere 100, Roma, 00133, Italy.Assuming that graphene is an "infinite alternant" polycyclic aromatic hydrocarbon resulting from tessellation of a surface by only six-membered carbon rings, planar fragments of various size and shape (hexagon, triangle, rectangle, and rhombus) have been considered to investigate their response to a magnetic field applied perpendicularly.
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