Excited state dynamics and photochemistry of nitroaromatic compounds
Nitrated aromatic molecules have unique photoinduced channels. Due to the presence of
oxygen-centered non-bonding orbitals, they can undergo sub-picosecond intersystem …
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 …
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 …
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 …
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 …
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
Excess energy redistribution dynamics operating in nitrobenzene under hexane and
isopropanol solvation were investigated using ultrafast transient absorption spectroscopy …
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 …
dependent on the nature of the interaction between the NO2 group and substituent in the …
Roaming-mediated isomerization in the photodissociation of nitrobenzene
Roaming reactions comprise a new class of reaction in which a molecule undergoes
frustrated dissociation to radicals, followed by an intramolecular abstraction reaction. Nitro …
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
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 …
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
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 …
photochemistry, no mechanism has ever been proposed to rationalize its formation. NO …