Do diradicals behave like radicals?

T Stuyver, B Chen, T Zeng, P Geerlings… - Chemical …, 2019 - ACS Publications
This review sets out to understand the reactivity of diradicals and how that may differ from
monoradicals. In the first part of the review, we delineate the electronic structure of a …

Solid oxygen

YA Freiman, HJ Jodl - Physics Reports, 2004 - Elsevier
Solid oxygen is a unique crystal combining properties of a simple molecular solid and of a
magnet. Unlike ordinary magnets, the exchange interaction in solid oxygen acts on a …

Temperature dependent absorption cross-sections of O 2–O 2 collision pairs between 340 and 630 nm and at atmospherically relevant pressure

R Thalman, R Volkamer - Physical chemistry chemical physics, 2013 - pubs.rsc.org
The collisions between two oxygen molecules give rise to O4 absorption in the Earth
atmosphere. O4 absorption is relevant to atmospheric transmission and Earth's radiation …

Dioxygen: what makes this triplet diradical kinetically persistent?

WT Borden, R Hoffmann, T Stuyver… - Journal of the American …, 2017 - ACS Publications
Experimental heats of formation and enthalpies obtained from G4 calculations both find that
the resonance stabilization of the two unpaired electrons in triplet O2, relative to the …

Unraveling oxygen evolution in Li-rich oxides: a unified modeling of the intermediate peroxo/superoxo-like dimers

Z Chen, J Li, XC Zeng - Journal of the American Chemical Society, 2019 - ACS Publications
Peroxo/superoxo is a key intermediate in oxygen evolution/reduction reactions in (electro)
catalysis. However, peroxo/superoxo analogues have aroused controversies relevant to the …

Observation of an O8 molecular lattice in the ɛ phase of solid oxygen

LF Lundegaard, G Weck, MI McMahon, S Desgreniers… - Nature, 2006 - nature.com
Of the simple diatomic molecules, oxygen is the only one to carry a magnetic moment. This
makes solid oxygen particularly interesting: it is considered a 'spin-controlled'crystal that …

Molecular Beam Scattering of Aligned Oxygen Molecules. The Nature of the Bond in the O2−O2 Dimer

V Aquilanti, D Ascenzi, M Bartolomei… - Journal of the …, 1999 - ACS Publications
Molecular beam experiments are reported for collisions between oxygen molecules. Total
integral cross sections have been measured as a function of the collision energy with the …

The Phase of Solid Oxygen: Evidence of an Molecule Lattice

FA Gorelli, L Ulivi, M Santoro, R Bini - Physical review letters, 1999 - APS
We report a detailed experimental characterization of the infrared absorption properties of
the high pressure, red phase of oxygen. Spectra are measured in the far infrared, down to …

Experimental benchmarks and phenomenology of interatomic forces: open-shell and electronic anisotropy effects

F Pirani, GS Maciel, D Cappelletti… - International Reviews in …, 2006 - Taylor & Francis
This article gives a perspective view of some representative experimental information
available on interatomic forces. They play a role in gaseous properties, but modern …

[HTML][HTML] Potential energy surface of triplet O4

Y Paukku, Z Varga, DG Truhlar - The Journal of chemical physics, 2018 - pubs.aip.org
We present a global ground-state potential energy surface (PES) for the triplet spin state of O
4 that is suitable for treating high-energy vibrational–rotational energy transfer and collision …