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Understanding Experimental Absorbance and Excited States in Chemistry, Study notes of Physical Chemistry

The concept of experimental absorbance and discusses key terminology related to electronic spectra and excited states in chemistry. Topics include vibrational fine-structure, radiative versus non-radiative relaxation, absorption and fluorescence, inter-system crossing, and phosphorescence. The document also covers theories used to predict electronic spectra and study excited states, such as ci-singles theory (cis) and time-dependent density functional theory (tddft).

Typology: Study notes

2011/2012

Uploaded on 12/24/2012

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Download Understanding Experimental Absorbance and Excited States in Chemistry and more Study notes Physical Chemistry in PDF only on Docsity! Experimental Absorbance can be expressed using the equation: [ ] [ ] cell theoflength path sample theofion concentrat tcoefficien absorptionmolar loglog 0 l J lJ I ITA ε ε=      −=−= The molar absorption coefficient depends on wavelength. You can integrate its value across a range of wavelengths to get the area under the peak observed in the experiment. Discuss the following terminology (using figures from the textbook): vibrational fine-structure radiative versus non-radiative relaxation absorption and fluorescence inter-system crossing and phosphoresence What goes into the value of ε? Electric-dipole transition moment (proportional to the oscillator strength, f, as reported in the Gaussian output): ∫ ⋅⋅ τψψ dr elecelec 21 Franck-Condon Factor 2 vib d state excited vib state ground 2       ∫ ⋅= τψψS Docsity.com
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