A combined experimental and theoretical investigation of the excited-state dynamics of 2,4,6-trinitrotoluene (TNT) in DMSO solvent

Liu, Run-Ze; Shang, Fangjian; Xiong, Ying; Zhang, Chaoyang; Yang, Songqiu; Zhou, Panwang; Liu, Jian-Yong

doi:10.1039/d1cp01782a

Phys. Chem. Chem. Phys.

2021

DOI: 10.1039/d1cp01782a

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A combined experimental and theoretical investigation of the excited-state dynamics of 2,4,6-trinitrotoluene (TNT) in DMSO solvent

Run-Ze Liu

Fangjian Shang

Ying Xiong

et al.

Abstract: In the present contribution we carried out TDDFT and femtosecond transient absorption study for the excited state dynamics of TNT in DMSO solvent. Vertical excitation and excited state relaxation were...

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TDDFT calculations of the PETN’s ultraviolet absorption spectrum under the electric field loading

Zhang

Ren

et al. 2023

J Mol Model

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A combined experimental and theoretical investigation of the excited-state dynamics of 2,4,6-trinitrotoluene (TNT) in DMSO solvent

Abstract: In the present contribution we carried out TDDFT and femtosecond transient absorption study for the excited state dynamics of TNT in DMSO solvent. Vertical excitation and excited state relaxation were...

Cited by 3 publications

References 32 publications

TDDFT calculations of the PETN’s ultraviolet absorption spectrum under the electric field loading

TDDFT calculations of the PETN’s ultraviolet absorption spectrum under the electric field loading

A combined theoretical and experimental study of photo-induced intramolecular hydrogen transfer of 2,4,6-trinitrotoluene

Transient spectroscopic insights into nitroindole’s T1 state: Elucidating its intermediates and unique photochemical properties

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