نتایج جستجو برای: cyclooctatetraene
تعداد نتایج: 144 فیلتر نتایج به سال:
The syn dimer of cyclobutadiene (tricyclo[4.2.0.0(2.5)]octa-3,7-diene, TOD) is subjected to ionization under different conditions and the resulting species are probed by optical and ESR spectroscopy. By means of quantum chemical modelling of the potential energy surfaces and the optical spectra, it is possible to assign the different products that arise spontaneously after ionization or after s...
CASSCF and CASPT2 methods were used to study the photochemistry of tricyclo[3.3.0.0(2,6)]octa-3,7-diene (TOD). The analysis of different S1 reaction paths as well as the topology of the S1/S0 intersection space allows us to establish two novel properties associated with the photochemical behavior of this compound: (i) simple low-lying intersection space domains can mediate different photoproduc...
Reduction of the Th complex Cp 00 3Th, 1 [Cp00 1⁄4 C5H3(SiMe3)2], with potassium graphite in THF in the presence of 2.2.2-cryptand generates [K(2.2.2-cryptand)][Cp 00 3Th], 2, a complex containing thorium in the formal +2 oxidation state. Reaction of 1 with KC8 in the presence of 18-crown-6 generates the analogous Th compound, [K(18-crown-6)(THF)2][Cp 00 3Th], 3. Complexes 2 and 3 form dark gre...
This perspective describes research, carried out in the authors' labs over the past forty years, aimed at understanding, predicting, and measuring the singlet-triplet energy differences (ΔE(ST)) in diradicals. A theory for qualitatively predicting the ground states of diradicals and the use of Negative Ion Photoelectron Spectroscopy (NIPES) for measuring ΔE(ST) are described. The application of...
First-row transition-metal complexes hold great potential as catalysts for hydrogenations and related reductive reactions. Homo- and heteroleptic arene/alkene metalates(1-) (M=Co, Fe) are a structurally distinct catalyst class with good activities in hydrogenations of alkenes and alkynes. The first syntheses of the heteroleptic cobaltates [K([18]crown-6)][Co(η4 -cod)(η2 -styrene)2 ] (5) and [K(...
Bright, long-lasting organic fluorophores enable a broad range of imaging applications. "Self-healing" fluorophores, in which intra-molecularly linked protective agents quench photo-induced reactive species, exhibit both enhanced photostability and biological compatibility. However, the self-healing strategy has yet to achieve its predicted potential, particularly in the presence of ambient oxy...
Reduction of the Th3+ complex Cp''3Th, 1 [Cp'' = C5H3(SiMe3)2], with potassium graphite in THF in the presence of 2.2.2-cryptand generates [K(2.2.2-cryptand)][Cp''3Th], 2, a complex containing thorium in the formal +2 oxidation state. Reaction of 1 with KC8 in the presence of 18-crown-6 generates the analogous Th2+ compound, [K(18-crown-6)(THF)2][Cp''3Th], 3. Complexes 2 and 3 form dark green s...
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