In: Chemistry - A European Journal, 2009, vol. 15, no. 7, p. 1604 - 1617
Low-energy electronic transitions have been detected spectroscopically in the FeII-FeIII mixed-valent biferrocenyl radical cation, but are absent in the spectra of the neutral analogue. They have been assigned by time-dependent DFT calculations (squares in figure). Analogous investigations were performed for the bisfulvalenide FeII-FeIII radical cation....
|
In: Journal of the American Chemical Society, 2007, vol. 129, no. 26, p. 8380-8388
p-Biphenylyl, o-biphenylyl, and 1-naphthyl azides were deposited in argon at low temperature in the presence and absence of HCl. In the absence of HCl, the known electronic and vibrational spectra of the corresponding triplet nitrenes, azirines, and didehydroazepines were observed, whereas in the presence of HCl, photolysis of these azides produces new electronic spectra assigned to...
|
In: Chimia, 2007, vol. 61, no. 10, p. 645-649
This paper illustrates the research on the photochemistry of reactive intermediates that was (and still is) carried out in the author's research group on three typical examples: the photochemistry of arylcarbenes, arylnitrenes, and organic radical cations.
|
In: The Journal of Physical Chemistry A, 2007, vol. 111, no. 5, p. 817 -824
Photolysis of 1,3,2,4-benzodithiadiazine (1) at ambient temperature yields stable 1,2,3-benzodithiazolyl radicals. In order to reveal the mechanism of this unusual transformation, the photochemistry of 1 was studied in argon matrices using IR and UV-vis spectroscopy. A series of intermediates, including four- and five-membered heterocyclic and o-quinoid acyclic species, were characterized...
|
In: Journal of the American Chemical Society, 2007, vol. 129, no. 11, p. 3211 -3217
A new method for investigating the mechanisms of nitric oxide release from NO donors under oxidative and reductive conditions is presented. Based on the fragmentation of N-nitrosoamines, it allows generation and spectroscopic characterization of nitrenium cations, amide anions, and aminyl radicals. X-irradiation of N-nitroso-N,N-diphenylamine 1 in Ar matrices at...
|
In: The Journal of Physical Chemistry A, 2006, vol. 110, no. 3, p. 1163 -1170
|
In: Journal of the American Chemical Society, 2006, vol. 128, no. 24, p. 7828 -7834
|
In: The Journal of Physical Chemistry A, 2007, vol. 111, no. 9, p. 1667 -1676
The first few bands in the optical spectra of radical cations can often be interpreted in terms of A-type transitions that involve electron promotions from doubly occupied to the singly occupied molecular orbital (SOMO) and/or B-type transition which involve electron promotion from the SOMO to virtual molecular orbitals. We had previously demonstrated that, by making use of Koopmans' theorem, the...
|
In: The Journal of Organic Chemistry, 2006, vol. 7, no. 14, p. 5312 -5319
|
In: Angewandte Chemie International Edition, 2006, vol. 45, no. 40, p. 6616 - 6619
|
