Excited state dynamics and photochemistry of nitroaromatic compounds

W Rodríguez-Córdoba, L Gutiérrez-Arzaluz… - Chemical …, 2021 - pubs.rsc.org
Nitrated aromatic molecules have unique photoinduced channels. Due to the presence of
oxygen-centered non-bonding orbitals, they can undergo sub-picosecond intersystem …

Invited review article: photofragment imaging

AG Suits - Review of Scientific Instruments, 2018 - pubs.aip.org
Photodissociation studies in molecular beams that employ position-sensitive particle
detection to map product recoil velocities emerged thirty years ago and continue to evolve …

Direct reaction of nitroarenes and thiols via photodriven oxygen atom transfer for access to sulfonamides

Z Bao, J Zou, C Mou, Z **, SC Ren, YR Chi - Organic Letters, 2022 - ACS Publications
Sulfonamide is a common motif in medicines and agrochemicals. Typically, this class of
functional groups is prepared by reacting amines with sulfonyl chlorides that are …

Electronic structure of nitrobenzene: A benchmark example of the accuracy of the multi-state CASPT2 theory

J Soto, M Algarra - The Journal of Physical Chemistry A, 2021 - ACS Publications
The electronic structure of nitrobenzene (C6H5NO2) has been studied by means of the
complete active space self-consistent field (CASSCF) and multi-state second-order …

Photodegradation of Flutamide and Halogen Derivatives of Nitrobenzotrifluoride: The NO Release Channel

NB Bejoy, GN Patwari - The Journal of Physical Chemistry A, 2023 - ACS Publications
The photodegradation of the nonsteroidal antiandrogen drug flutamide has been long linked
to the photoisomerization involving the nitro group. In this work, the dynamics of NO …

The value of different experimental observables: a transient absorption study of the ultraviolet excitation dynamics operating in nitrobenzene

SW Crane, M Garrow, PD Lane… - The Journal of …, 2023 - ACS Publications
Excess energy redistribution dynamics operating in nitrobenzene under hexane and
isopropanol solvation were investigated using ultrafast transient absorption spectroscopy …

Modulating the Roaming Dynamics for the NO Release in ortho-Nitrobenzenes

NB Bejoy, P Roy Chowdhury… - The Journal of Physical …, 2023 - ACS Publications
The dynamics of NO release upon photodissociation of nitroaromatic compounds is
dependent on the nature of the interaction between the NO2 group and substituent in the …

Roaming-mediated isomerization in the photodissociation of nitrobenzene

ML Hause, N Herath, R Zhu, MC Lin, AG Suits - Nature chemistry, 2011 - nature.com
Roaming reactions comprise a new class of reaction in which a molecule undergoes
frustrated dissociation to radicals, followed by an intramolecular abstraction reaction. Nitro …

Investigation of the electronic and optical activity of halogen-substituted 2-nitrotoulene by density functional theory

S Lakhera, M Rana, K Devlal - Optical and Quantum Electronics, 2023 - Springer
The enhancement of Nonlinear optical (NLO) activity of the 2-nitrotoulene (2NT) after the
substitution of the halogens (F, Cl, Br, and I) at the para position of the benzene ring was …

A First Proposal on the Nitrobenzene Photorelease Mechanism of NO2 and Its Relation to NO Formation through a Roaming Mechanism

A Giussani, GA Worth - The Journal of Physical Chemistry Letters, 2024 - ACS Publications
Despite the fact that NO2 is considered to be the main photoproduct of nitrobenzene
photochemistry, no mechanism has ever been proposed to rationalize its formation. NO …