Sunlight-Initiated Photochemistry: Excited Vibrational States of Atmospheric Chromophores
نویسندگان
چکیده
منابع مشابه
Photochemistry of Pheomelanin Building Blocks and Model Chromophores: Excited-State Intra- and Intermolecular Proton Transfer.
Pheomelanins, the epidermal pigments of red-haired people responsible for their enhanced UV susceptibility, contain 1,4-benzothiazines and 1,3-benzothiazole as main structural components. Despite the major role played in pheomelanin phototoxicity, the photoreactivity of these species has so far remained unexplored. Static and time-resolved fluorescence spectroscopy was used to identify excited-...
متن کاملAccidental vibrational degeneracy in vibrational excited states observed with ultrafast two-dimensional IR vibrational echo spectroscopy.
The coupling between the OD stretch v=2 level and benzene-ring modes in 2-methoxyphenol-OD (hydroxyl H replaced by D) is observed with ultrafast two-dimensional (2D) IR vibrational echo spectroscopy. Because of this coupling, the 1-2 transition peak in the 2D spectrum is split into a doublet with peaks of approximately equal amplitudes. Several molecules and solvents were used to study this phe...
متن کاملHighly Excited Vibrational States of the KCN Molecule
Vibrational (J = 0) states for the KCN molecule are calculated in Jacobi coordinates, employing a discrete variable representation (DVR) for the angular internal coordinate. The power of the DVR method is once again illustrated in that some 800 vibrational (J = 0) states are converged for a two-dimensional potential-energy surface. The energy region studied is that where the classical dynamics ...
متن کاملEvaluating excited state atomic polarizabilities of chromophores.
Ground and excited state dipoles and polarizabilities of the chromophores N-methyl-6-oxyquinolinium betaine (MQ) and coumarin 153 (C153) in solution have been evaluated using time-dependent density functional theory (TD-DFT). A method for determining the atomic polarizabilities has been developed; the molecular dipole has been decomposed into atomic charge transfer and polarizability terms, and...
متن کاملSolvation of the excited states of chromophores in polarizable environment: orbital relaxation versus polarization.
A hybrid quantum mechanics/molecular mechanics (QM/MM) method for the electronic excited states has been developed. The equation-of-motion coupled cluster with single and double excitations method (EOM-CCSD) is used for the QM region, while the effective fragment potential (EFP) method describes a MM part. The EFP method overcomes the most significant limitation of QM/MM by replacing empirical ...
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: International Journal of Photoenergy
سال: 2008
ISSN: 1110-662X,1687-529X
DOI: 10.1155/2008/138091