Thionitroxyl Radical (H2NS) Isomers: Structures, Vibrational Spectroscopy, Electronic States and Photochemistry
نویسندگان
چکیده
منابع مشابه
Jet spectroscopy of buckybowl: electronic and vibrational structures in the S0 and S1 states of triphenylene and sumanene.
Sumanene is a typical buckybowl molecule with C3v symmetry. We observed a fluorescence excitation spectrum and a dispersed fluorescence spectrum of sumanene in a supersonic jet. Bowl effects were clarified by comparing the spectra with those of triphenylene (D3h symmetry), which is a planar prototype of nonplanar sumanene. The S1 (1)A1 ← S0 (1)A1 transition is symmetry allowed. We found the 0(0...
متن کاملElectronic structures, vibrational spectra, and revised assignment of aniline and its radical cation: Theoretical study
Comprehensive studies of the molecular and electronic structures, vibrational frequencies, and infrared and Raman intensities of the aniline radical cation, C6H5NH2 1 have been performed by using the unrestricted density functional ~UB3LYP! and second-order Møller–Plesset ~UMP2! methods with the extended 6-31111G~df,pd! basis set. For comparison, analogous calculations were carried out for the ...
متن کاملVibrational spectroscopy and picosecond dynamics of gaseous trienes and tetraenes in 51 and 52 electronic states
Fluorescence excitation and emission spectra of the 81 and 82 states of model trienes and tetraenes are measured in free jet expansions. The barriers to cis-trans isomerization in the 81 state are <200 cm-1 for trienes and -2000 cm-1 for tetraenes. <250 fs nonradiative decay of ' the 82 state of tetraenes is deduced from the observed Lorentzian linewidths.
متن کاملMeasuring correlated electronic and vibrational spectral dynamics using line shapes in two-dimensional electronic-vibrational spectroscopy.
Two-dimensional electronic-vibrational (2DEV) spectroscopy is an experimental technique that shows great promise in its ability to provide detailed information concerning the interactions between the electronic and vibrational degrees of freedom in molecular systems. The physical quantities 2DEV is particularly suited for measuring have not yet been fully determined, nor how these effects manif...
متن کاملDetermining the static electronic and vibrational energy correlations via two-dimensional electronic-vibrational spectroscopy.
Changes in the electronic structure of pigments in protein environments and of polar molecules in solution inevitably induce a re-adaption of molecular nuclear structure. Both changes of electronic and vibrational energies can be probed with visible or infrared lasers, such as two-dimensional electronic spectroscopy or vibrational spectroscopy. The extent to which the two changes are correlated...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Frontiers in Astronomy and Space Sciences
سال: 2021
ISSN: 2296-987X
DOI: 10.3389/fspas.2021.641067