Distinct Photophysics of the Isomers of B18H22 Explained

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60076658%3A12310%2F12%3A43884437" target="_blank" >RIV/60076658:12310/12:43884437 - isvavai.cz</a>
Alternative codes found
RIV/61388980:_____/12:00377475 RIV/61388955:_____/12:00377475
Result on the web
<a href="http://dx.doi.org/10.1021/ic201726k" target="_blank" >http://dx.doi.org/10.1021/ic201726k</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1021/ic201726k" target="_blank" >10.1021/ic201726k</a>

Result language
angličtina
Original language name
Distinct Photophysics of the Isomers of B18H22 Explained
Original language description
The photophysics of the two isomers of octadecaborane(22), anti- and syn-B18H22, have been studied by UV-vis spectroscopic techniques and theoretical computational methods. In air-saturated hexane, anti-B18H22 shows fluorescence with a high quantum yield, Phi(F) = 0.97, and singlet oxygen O-2((1)Delta(g)) production (Phi(Delta) similar to 0.008). Conversely, isomer syn-B18H22 shows no measurable fluorescence, instead displaying much faster, picosecond non-adiative decay of excited singlet states. Computed potential energy hypersurfaces (PEHs) for both isomers rationalize these data, pointing to a deep S-1 minimum for anti-B18H22 and a conical intersection (CI) between its S-0 and S-1 states that lies 0.51 eV higher in energy. Such an energy barrier tononradiative relaxation is not present in the PEH of syn-B18H22, and the system therefore has sufficient initial energy on excitation to reach the (S-0/S-1) CI and to then decay to the ground state without fluorescence. The computational
Czech name
—
Czech description
—

Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
BO - Biophysics
OECD FORD branch
—

Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>Z - Vyzkumny zamer (s odkazem do CEZ)

Publication year
2012
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Similar results(10)