Ab initio quantum-chemical computations of the absorption cross sections of HgX2 and HgXY (X, y = Cl, Br, and I): Molecules of interest in the Earth's atmosphere
13 pags., 4 figs., 2 tabs.
Photochromic System among Boron Hydrides: The Hawthorne Rearrangement
Photoswitchable molecules have attracted wide interest for many applications in chemistry, physics, and materials science. In this work, we revisit the reversible photochemical and thermal rearrangements of the two B20H182– isomers reported by Hawthorne and Pilling in 1966, whose mechanism had not been understood so far. We investigate the rearrangements by means of a joint experimental and computational study with the outcome that B20H182– represents the first boron-based photochromic system ever reported. Both photochemical and thermal isomerizations occur through the same intermediate and involve a diamond–square–diamond (DSD) mechanism. Given the absence within boron chemistry of named …
Photoreduction of gaseous oxidized mercury changes global atmospheric mercury speciation, transport and deposition
9 pags, 8 figs. -- Correction autor: https://doi.org/10.1038/s41467-022-28455-w http://hdl.handle.net/10261/268181