Electronically excited state structures and stabilities of organic small molecules: A DFT study of triphenylamine derivatives
Sign Up to like & getrecommendations! Published in 2021 at "Chemical Physics"
DOI: 10.1016/j.chemphys.2021.111256
Abstract: Abstract Information on the structures and stabilities of electronically excited organic small molecules is critically important for their many applications. In this work, we report the results of excited state structures and stabilities of eight… read more here.
Keywords: excited state; structures stabilities; electronically excited; organic small ... See more keywords
Electronically excited states of carbazole-modified ortho-phenylenes
Sign Up to like & getrecommendations! Published in 2018 at "Chemical Physics Letters"
DOI: 10.1016/j.cplett.2017.12.070
Abstract: Abstract In recent years new materials for phosphorescent organic light-emitting diodes were found from complexes of carbazole-modified ortho-phenylene derivatives. We investigate theoretically the photo-induced charge transfer in these complexes. The electronically excited states and absorption… read more here.
Keywords: ortho phenylenes; electronically excited; excited states; states carbazole ... See more keywords
Ultrafast Dynamics of Electronically Excited Host–Guest Complexes of Cucurbiturils with Styryl Dyes
Sign Up to like & getrecommendations! Published in 2019 at "ACS Omega"
DOI: 10.1021/acsomega.9b01158
Abstract: The relaxation mechanism of electronically excited states of host–guest complexes between cucurbiturils (CB) and pyridinium styryl dyes is considered in detail on the basis of the recent results obtained by the up-conversion fluorescence technique. The… read more here.
Keywords: electronically excited; styryl dyes; complexes cucurbiturils; host guest ... See more keywords
Unimolecular dissociation dynamics of electronically excited HCO(Ã2A''): rotational control of nonadiabatic decay.
Sign Up to like & getrecommendations! Published in 2022 at "Faraday discussions"
DOI: 10.1039/d2fd00011c
Abstract: The photoinduced unimolecular decay of the electronically excited HCO(Ã2A'') is investigated in a combined experimental-theoretical study. The molecule is excited to the (1, n2, 0) combination bands, which decay via Renner-Teller coupling to the ground… read more here.
Keywords: state; electronically excited; hco rotational; decay ... See more keywords
An experimental and theoretical investigation into the electronically excited states of para-benzoquinone
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Chemical Physics"
DOI: 10.1063/1.4982940
Abstract: We report on a combination of experimental and theoretical investigations into the structure of electronically excited para-benzoquinone (pBQ). Here synchrotron photoabsorption measurements are reported over the 4.0–10.8 eV range. The higher resolution obtained reveals previously… read more here.
Keywords: electronically excited; investigation electronically; theoretical investigation; para benzoquinone ... See more keywords
Complete, Theoretical Rovibronic Spectral Characterization of the Carbon Monoxide, Water, and Formaldehyde Cations
Sign Up to like & getrecommendations! Published in 2023 at "Molecules"
DOI: 10.3390/molecules28041782
Abstract: New high-level ab initio quartic force field (QFF) methods are explored which provide spectroscopic data for the electronically excited states of the carbon monoxide, water, and formaldehyde cations, sentinel species for expanded, recent cometary spectral… read more here.
Keywords: formaldehyde cations; electronically excited; water; water formaldehyde ... See more keywords