The triplet hydroxyl radical complex of phosphorus monoxide

X Chu, W Qian, B Lu, L Wang, J Qin, J Li… - Angewandte …, 2020 - Wiley Online Library
Phosphorus monoxide (. PO) is a key intermediate in phosphorus chemistry, and its
association with the hydroxyl radical (. OH) to yield metaphosphorous acid (cis‐HOPO) …

Caged nitric oxide–thiyl radical pairs

Z Wu, C Chen, J Liu, Y Lu, J Xu, X Liu… - Journal of the …, 2019 - ACS Publications
S-Nitrosothiols (RSNO) are exogenous and endogenous sources of nitric oxide in biological
systems due to facile homolytic cleavage of the S–N bonds. By following the photolytic …

NeON+: An Atom and a Molecule

RC Fortenberry, SR Gwaltney - ACS Earth and Space Chemistry, 2018 - ACS Publications
The NeON+ molecule is stable with a Ne+ NO+ dissociation energy of 0.90 kcal/mol. While
this is small, the two vibrational modes that include the neon atom are less than this barrier …

Fundamental Aspects of Recoupled Pair Bonds. III. The Frustrated Recoupled Pair Bond in Oxygen Monofluoride

TY Takeshita, TH Dunning Jr - The Journal of Physical Chemistry …, 2016 - ACS Publications
In a previous paper in this series, we discussed the formation of recoupled pair bonds in the
a 4Σ–states of CF and SF in which the recoupling process was essentially complete at the …

High level ab initio calculations on ClFn−(n= 1–6): Recoupled pair bonding involving a closed-shell central ion

L Chen, DE Woon, TH Dunning Jr - Computational and Theoretical …, 2017 - Elsevier
In this paper we complete our studies of the bonding in the ClF n+, 0,− series, characterizing
the structures and energetics of the ground and low-lying excited states of ClF n−(n= 1–6) …

Ab Initio Study Predicts That Enigmatic Isonitrosyl Fluoride Should Be Stable at Low Temperatures yet Unnoticeable Due to Its Photoreactivity

RR Syrlybaeva, MR Talipov - The Journal of Physical Chemistry A, 2018 - ACS Publications
Isonitrosyl fluoride F–ON remains an undetected molecule despite multiple attempts to
generate it and successful identification of other isonitrosyl halides (X–ONs) via …

ИССЛЕДОВАНИЕ МОЛЕКУЛЯРНОЙ ЭНЕРГЕТИКИ ОРГАНИЧЕСКИХ СОЕДИНЕНИЙ С ИСПОЛЬЗОВАНИЕМ ВЫЧИСЛИТЕЛЬНЫХ МЕТОДОЛОГИЙ

СЛ Хурсан - Председатель–академик АА Берлин (ФИЦ ХФ РАН) …, 2019 - elibrary.ru
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