Observation of halogen-like behavior of gold in fluorinated bimetallic CoAuF1-2- and CuAuF1-2- clusters: Anion photoelectron spectroscopy and density functional theory.

Using size-selected anion photoelectron spectroscopy and density functional theory, we investigated the structures and properties of fluorinated bimetallic clusters CoAuF1-2- and CuAuF1-2- and their neutrals. Both experimental and theoretical results show that in these cluster anions, Au behaves like a halogen atom. For example, the measured vertical detachment energies (VDEs) of CoAuF- (2.

A comparative study on effect of news sentiment on stock price prediction with deep learning architecture.

The accelerated progress in artificial intelligence encourages sophisticated deep learning methods in predicting stock prices. In the meantime, easy accessibility of the stock market in the palm of one's hand has made its behavior more fuzzy, volatile, and complex than ever. The world is looking at an accurate and reliable model that uses text and numerical data which better represents the market's highly volatile and non-linear behavior in a broader spectrum.

Signature of Au as a Halogen.

Gold, although chemically inert in its bulk state, is reactive at the nanoscale and, in small clusters, even behaves like a hydrogen atom. Using a photoelectron spectroscopy experiment and first-principles theory, we show that Au also behaves like a halogen in small clusters. This is evident not only in strong resemblance between the photoelectron spectra of AuF and AuF but also in Au exhibiting one of the signature properties of halogens, its ability to form superhalogens with electron affinities higher than that of any halogen atom.

Correction: Metallo-boranes: a class of unconventional superhalogens defying electron counting rules.

Correction for 'Metallo-boranes: a class of unconventional superhalogens defying electron counting rules' by Huta Banjade , , 2022, , 1767-1778, DOI: 10.1039/D1NR06929B.

SbCl: An Exceptional Superhalogen as the Building Block of a Mixed Valence Supercrystal with Unconventional Ferroelectricity.

Superhalogens are nanoclusters with high electron affinities, exhibiting behavior similar to that of halogens. Their dimerization yields nonpolar symmetrical clusters, akin to diatomic halogen molecules, and they are unstable in the condensed phase in the absence of charge-compensating cations. Herein, we provide evidence that SbCl superhalogen is an exception: its dimerization yields a polar cluster that can be viewed as a quasi-bonded [SbCl] and [SbCl] Lewis acid-base cluster.

Metallo-boranes: a class of unconventional superhalogens defying electron counting rules.

Superhalogens are a class of highly electronegative atomic clusters whose electron affinities exceed those of halogens. Due to their potential for promoting unusual reactions and role as weakly coordinating anions as well as building blocks of bulk materials, there has been considerable interest in their design and synthesis. Conventional superhalogens are composed of a metal atom surrounded by halogen atoms.

Realization of the Zn oxidation state.

Due to unfilled d-shells, transition metal atoms exhibit multiple oxidation states and rich chemistry. While zinc is often classified as a transition metal, electrons in its filled 3d shell do not participate in chemical reactions; hence, its oxidation state is +2. Using calculations based on density functional theory, we show that the chemistry of zinc can fundamentally change when it is allowed to interact with highly stable super-electrophilic trianions, namely, BeB(CN) and BeB(CN), which lie 15.

Role of Size and Composition on the Design of Superalkalis.

Superalkalis and superhalogens are atomic clusters that mimic the chemistry of alkali and halogen atoms, respectively; the ionization energies of the superalkalis are less than those of alkali atoms, while the electron affinities of superhalogens are larger than those of the halogen atoms. These superions can serve as the building blocks of a new class of supersalts with applications in solar cells, metal-ion batteries, multiferroic materials, and so on. While considerable progress has been made in the design and synthesis of superhalogens, a similar understanding of superalkalis is lacking.

Structure motif-centric learning framework for inorganic crystalline systems.

Incorporation of physical principles in a machine learning (ML) architecture is a fundamental step toward the continued development of artificial intelligence for inorganic materials. As inspired by the Pauling's rule, we propose that structure motifs in inorganic crystals can serve as a central input to a machine learning framework. We demonstrated that the presence of structure motifs and their connections in a large set of crystalline compounds can be converted into unique vector representations using an unsupervised learning algorithm.

Electrocatalytic CO reduction on earth abundant 2D MoC and TiC MXenes.

MoC and TiC MXenes were investigated as earth-abundant electrocatalyts for the CO reduction reaction (CORR). MoC and TiC exhibited faradaic efficiencies of 90% (250 mV overpotential) and 65% (650 mV overpotential), respectively, for the reduction of CO to CO in acetonitrile using an ionic liquid electrolyte. The use of ionic liquid 1-ethyl-2-methylimidazolium tetrafluoroborate as an electrolyte in organic solvent suppressed the competing hydrogen evolution reaction.