Exciplexes in highly excited triplet states

Migration of Excitation Energy in Furocoumarins

“…Over the past 30 years, this package has been intensively used to study the photonics of polyatomic organic molecules. Using the software package, you can determine the important characteristics of the electronic states of polyatomic molecules: the energies and nature of molecular orbitals, the energies and wave functions of singlet and triplet electronically excited states, the oscillator strength and polarization of electronic transitions, the distribution of the electron density on the atoms and bonds of the molecule, the dipole moments in ground and excited states, rate constants of radiative and nonradiative processes involving electronically excited states of molecules, as well as absorption spectra from excited singlet and triplet states ( Artyukhov et al, 2008 ; Alfimov et al, 2014 ; Artyukhov et al, 1997 ; Plotnikov, 1979 ; Pomogaev and Artyukhov, 2001 ). Moreover, this software set has achieved success in solving the problems of large molecules photonics ( Plotnikov, 1979 ; Artyukhov and Pomogaev, 2000 ; Bocharnikova et al, 2019 ; Liano et al, 2003 ; Reveguk et al, 2020 ; Tchaikovskaya et al, 2020 ).…”

“…Moreover, this software set has achieved success in solving the problems of large molecules photonics ( Plotnikov, 1979 ; Artyukhov and Pomogaev, 2000 ; Bocharnikova et al, 2019 ; Liano et al, 2003 ; Reveguk et al, 2020 ; Tchaikovskaya et al, 2020 ). The methodology for studying the spectral-luminescent properties of complex molecules was described in ( Alfimov and Plotnikov, 2014 ; Bocharnikova et al, 2020 ). In order to construct a diagram of electronically excited states of furocoumarins, the geometry was optimized by the quantum-chemical method AustinModel 1 (Austin model 1 or AM1) ( Dewar Michael, 2012 ; Quirante, 1995 ).…”

DataSheet1.PDF

“…Over the past 30 years, this package has been intensively used to study the photonics of polyatomic organic molecules. Using the software package, you can determine the important characteristics of the electronic states of polyatomic molecules: the energies and nature of molecular orbitals, the energies and wave functions of singlet and triplet electronically excited states, the oscillator strength and polarization of electronic transitions, the distribution of the electron density on the atoms and bonds of the molecule, the dipole moments in ground and excited states, rate constants of radiative and nonradiative processes involving electronically excited states of molecules, as well as absorption spectra from excited singlet and triplet states (Artyukhov et al, 2008;Alfimov et al, 2014;Artyukhov et al, 1997;Plotnikov, 1979;Pomogaev and Artyukhov, 2001). Moreover, this software set has achieved success in solving the problems of large molecules photonics (Plotnikov, 1979;Artyukhov and Pomogaev, 2000;Bocharnikova et al, 2019;Liano et al, 2003;Reveguk et al, 2020;Tchaikovskaya et al, 2020).…”

“…Moreover, this software set has achieved success in solving the problems of large molecules photonics (Plotnikov, 1979;Artyukhov and Pomogaev, 2000;Bocharnikova et al, 2019;Liano et al, 2003;Reveguk et al, 2020;Tchaikovskaya et al, 2020). The methodology for studying the spectralluminescent properties of complex molecules was described in (Alfimov and Plotnikov, 2014;Bocharnikova et al, 2020). In order to construct a diagram of electronically excited states of furocoumarins, the geometry was optimized by the quantumchemical method AustinModel 1 (Austin model 1 or AM1) (Dewar Michael, 2012;Quirante, 1995).…”