Radiationless S-1 -> S-0 phenyl deactivation pathway: an investigation of iodine-marked bi-phenyl on a silicon surface by means of time resolved core-level photoelectron spectroscopy

Michelswirth M, Dachraoui H, Mattay J, Heinzmann U (2012)
Molecular Physics 110(4): 207-216.

Journal Article | Published | English

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Abstract
The S-1 -> S-0 radiationless deactivation of iodine terminated bi-phenyl immobilized on a silicon surface was probed by analysing the I4d signature (BE: 45.6 eV, 47.3 eV) by means of High Harmonic Generation (HHG) based photoelectron spectroscopy. Modifications of the 4d(5/2,3/2) spectroscopic contents spanning about 0.2 ps after UV activation (266 nm) were verified as showing a transient molecular response character. A localization to the terminated phenyl substructure in the complex structural environment on the surface was ensured according to the core-level nature of the recorded I4d. The activation of the bi-phenyl achieved by UV irradiation, corresponding to the UV absorption band-edge, was verified as being dominated by a B pi -> B pi* phenyl excitation. Time-Dependent Density Functional Theory (TD-DFT) modellings were therefore performed. They were matched to Configuration Interaction semi-empirical calculations (CI-MNDO) verifying the Rustagi-Ducuing relation. The simulated singlet-singlet excitation spectrum was referenced to the spectra of an iodine terminated monomer and a linear oligophenyl chain (N=8). Thus the deactivation response studied was assigned to a conical intersection promoted S-1(pi*)-> S-0(pi) reaction pathway.
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Michelswirth M, Dachraoui H, Mattay J, Heinzmann U. Radiationless S-1 -> S-0 phenyl deactivation pathway: an investigation of iodine-marked bi-phenyl on a silicon surface by means of time resolved core-level photoelectron spectroscopy. Molecular Physics. 2012;110(4):207-216.
Michelswirth, M., Dachraoui, H., Mattay, J., & Heinzmann, U. (2012). Radiationless S-1 -> S-0 phenyl deactivation pathway: an investigation of iodine-marked bi-phenyl on a silicon surface by means of time resolved core-level photoelectron spectroscopy. Molecular Physics, 110(4), 207-216.
Michelswirth, M., Dachraoui, H., Mattay, J., and Heinzmann, U. (2012). Radiationless S-1 -> S-0 phenyl deactivation pathway: an investigation of iodine-marked bi-phenyl on a silicon surface by means of time resolved core-level photoelectron spectroscopy. Molecular Physics 110, 207-216.
Michelswirth, M., et al., 2012. Radiationless S-1 -> S-0 phenyl deactivation pathway: an investigation of iodine-marked bi-phenyl on a silicon surface by means of time resolved core-level photoelectron spectroscopy. Molecular Physics, 110(4), p 207-216.
M. Michelswirth, et al., “Radiationless S-1 -> S-0 phenyl deactivation pathway: an investigation of iodine-marked bi-phenyl on a silicon surface by means of time resolved core-level photoelectron spectroscopy”, Molecular Physics, vol. 110, 2012, pp. 207-216.
Michelswirth, M., Dachraoui, H., Mattay, J., Heinzmann, U.: Radiationless S-1 -> S-0 phenyl deactivation pathway: an investigation of iodine-marked bi-phenyl on a silicon surface by means of time resolved core-level photoelectron spectroscopy. Molecular Physics. 110, 207-216 (2012).
Michelswirth, Martin, Dachraoui, Hatem, Mattay, Jochen, and Heinzmann, Ulrich. “Radiationless S-1 -> S-0 phenyl deactivation pathway: an investigation of iodine-marked bi-phenyl on a silicon surface by means of time resolved core-level photoelectron spectroscopy”. Molecular Physics 110.4 (2012): 207-216.
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