Photoelectron spectra of conjugated molecules
نویسندگان
چکیده
منابع مشابه
CEO/semiempirical calculations of UV±visible spectra in conjugated molecules
The collective electronic oscillators (CEO) approach based on the TDHF approximation is combined with INDO/S, MNDO, AM1, and PM3 semiempirical Hamiltonians. This technique is applied to compute and analyze the electronic structure of acceptor-substituted oligomers and conjugated polymers. Calculated excited-state energies and oscillator strengths agree well with the experimental data and with e...
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The 351.1 nm photoelectron spectrum of imidazolide anion has been measured. The electron affinity (EA) of the imidazolyl radical is determined to be 2.613 +/- 0.006 eV. Vibrational frequencies of 955 +/- 15 and 1365 +/- 20 cm(-1) are observed in the spectrum of the (2)B1 ground state of the imidazolyl radical. The main features in the spectrum are well-reproduced by Franck-Condon simulation bas...
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ژورنال
عنوان ژورنال: Pure and Applied Chemistry
سال: 1980
ISSN: 1365-3075,0033-4545
DOI: 10.1351/pac198052061509