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On the Estimation of Excited-State Dipole Moments from Solvatochromic Shifts of Absorption and Fluorescence Spectra
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| Zeitschriftentitel: | Zeitschrift für Naturforschung A |
|---|---|
| Personen und Körperschaften: | |
| In: | Zeitschrift für Naturforschung A, 57, 2002, 5, S. 255-262 |
| Format: | E-Article |
| Sprache: | Englisch |
| veröffentlicht: |
Walter de Gruyter GmbH
|
| Schlagwörter: |
| author_facet |
Kawski, A. Kawski, A. |
|---|---|
| author |
Kawski, A. |
| spellingShingle |
Kawski, A. Zeitschrift für Naturforschung A On the Estimation of Excited-State Dipole Moments from Solvatochromic Shifts of Absorption and Fluorescence Spectra Physical and Theoretical Chemistry General Physics and Astronomy Mathematical Physics |
| author_sort |
kawski, a. |
| spelling |
Kawski, A. 1865-7109 0932-0784 Walter de Gruyter GmbH Physical and Theoretical Chemistry General Physics and Astronomy Mathematical Physics http://dx.doi.org/10.1515/zna-2002-0509 <jats:p>The effect of the solvent polarity parameters f (Ɛ, n) and ᵩ(Ɛ, n) appearing in solvatochromic theories, and the effect of the molecular shape of the Onsager cavity (sphere, ellipsoid of revolution) on the determined electric dipole moments μ<jats:sub>e</jats:sub> in the singlet excited state are studied. It is found that the shape of the solute does not exhibit a significant effect on the determined values of μ<jats:sub>e</jats:sub>, but only on the solvent parameters f (Ɛ, n) and ᵩ(Ɛ, n) as well as on the Onsager radius a. Passing from a sphere to an ellipsoid leads to such a change in the scale that induces a proportional change in the slope coefficients m<jats:sub>1</jats:sub> and m<jats:sub>2</jats:sub>. Also the effect of α/a<jats:sup>3</jats:sup> (a and a are the mean isotropic polarizability of the solute and the Onsager cavity radius in a homogeneous dielectric, respectively) on the determined values of m e has been studied, and it is found that the assumption α/a<jats:sup>3</jats:sup> = 1/2 is valid in many cases.</jats:p> On the Estimation of Excited-State Dipole Moments from Solvatochromic Shifts of Absorption and Fluorescence Spectra Zeitschrift für Naturforschung A |
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On the Estimation of Excited-State Dipole Moments from Solvatochromic Shifts of Absorption and Fluorescence Spectra |
| title_unstemmed |
On the Estimation of Excited-State Dipole Moments from Solvatochromic Shifts of Absorption and Fluorescence Spectra |
| title_full |
On the Estimation of Excited-State Dipole Moments from Solvatochromic Shifts of Absorption and Fluorescence Spectra |
| title_fullStr |
On the Estimation of Excited-State Dipole Moments from Solvatochromic Shifts of Absorption and Fluorescence Spectra |
| title_full_unstemmed |
On the Estimation of Excited-State Dipole Moments from Solvatochromic Shifts of Absorption and Fluorescence Spectra |
| title_short |
On the Estimation of Excited-State Dipole Moments from Solvatochromic Shifts of Absorption and Fluorescence Spectra |
| title_sort |
on the estimation of excited-state dipole moments from solvatochromic shifts of absorption and fluorescence spectra |
| topic |
Physical and Theoretical Chemistry General Physics and Astronomy Mathematical Physics |
| url |
http://dx.doi.org/10.1515/zna-2002-0509 |
| publishDate |
2002 |
| physical |
255-262 |
| description |
<jats:p>The effect of the solvent polarity parameters f (Ɛ, n) and ᵩ(Ɛ, n) appearing in solvatochromic theories, and the effect of the molecular shape of the Onsager cavity (sphere, ellipsoid of revolution) on the determined electric dipole moments μ<jats:sub>e</jats:sub> in the singlet excited state are studied. It is found that the shape of the solute does not exhibit a significant effect on the determined values of μ<jats:sub>e</jats:sub>, but only on the solvent parameters f (Ɛ, n) and ᵩ(Ɛ, n) as well as on the Onsager radius a. Passing from a sphere to an ellipsoid leads to such a change in the scale that induces a proportional change in the slope coefficients m<jats:sub>1</jats:sub> and m<jats:sub>2</jats:sub>. Also the effect of α/a<jats:sup>3</jats:sup> (a and a are the mean isotropic polarizability of the solute and the Onsager cavity radius in a homogeneous dielectric, respectively) on the determined values of m e has been studied, and it is found that the assumption α/a<jats:sup>3</jats:sup> = 1/2 is valid in many cases.</jats:p> |
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| author | Kawski, A. |
| author_facet | Kawski, A., Kawski, A. |
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| description | <jats:p>The effect of the solvent polarity parameters f (Ɛ, n) and ᵩ(Ɛ, n) appearing in solvatochromic theories, and the effect of the molecular shape of the Onsager cavity (sphere, ellipsoid of revolution) on the determined electric dipole moments μ<jats:sub>e</jats:sub> in the singlet excited state are studied. It is found that the shape of the solute does not exhibit a significant effect on the determined values of μ<jats:sub>e</jats:sub>, but only on the solvent parameters f (Ɛ, n) and ᵩ(Ɛ, n) as well as on the Onsager radius a. Passing from a sphere to an ellipsoid leads to such a change in the scale that induces a proportional change in the slope coefficients m<jats:sub>1</jats:sub> and m<jats:sub>2</jats:sub>. Also the effect of α/a<jats:sup>3</jats:sup> (a and a are the mean isotropic polarizability of the solute and the Onsager cavity radius in a homogeneous dielectric, respectively) on the determined values of m e has been studied, and it is found that the assumption α/a<jats:sup>3</jats:sup> = 1/2 is valid in many cases.</jats:p> |
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| spelling | Kawski, A. 1865-7109 0932-0784 Walter de Gruyter GmbH Physical and Theoretical Chemistry General Physics and Astronomy Mathematical Physics http://dx.doi.org/10.1515/zna-2002-0509 <jats:p>The effect of the solvent polarity parameters f (Ɛ, n) and ᵩ(Ɛ, n) appearing in solvatochromic theories, and the effect of the molecular shape of the Onsager cavity (sphere, ellipsoid of revolution) on the determined electric dipole moments μ<jats:sub>e</jats:sub> in the singlet excited state are studied. It is found that the shape of the solute does not exhibit a significant effect on the determined values of μ<jats:sub>e</jats:sub>, but only on the solvent parameters f (Ɛ, n) and ᵩ(Ɛ, n) as well as on the Onsager radius a. Passing from a sphere to an ellipsoid leads to such a change in the scale that induces a proportional change in the slope coefficients m<jats:sub>1</jats:sub> and m<jats:sub>2</jats:sub>. Also the effect of α/a<jats:sup>3</jats:sup> (a and a are the mean isotropic polarizability of the solute and the Onsager cavity radius in a homogeneous dielectric, respectively) on the determined values of m e has been studied, and it is found that the assumption α/a<jats:sup>3</jats:sup> = 1/2 is valid in many cases.</jats:p> On the Estimation of Excited-State Dipole Moments from Solvatochromic Shifts of Absorption and Fluorescence Spectra Zeitschrift für Naturforschung A |
| spellingShingle | Kawski, A., Zeitschrift für Naturforschung A, On the Estimation of Excited-State Dipole Moments from Solvatochromic Shifts of Absorption and Fluorescence Spectra, Physical and Theoretical Chemistry, General Physics and Astronomy, Mathematical Physics |
| title | On the Estimation of Excited-State Dipole Moments from Solvatochromic Shifts of Absorption and Fluorescence Spectra |
| title_full | On the Estimation of Excited-State Dipole Moments from Solvatochromic Shifts of Absorption and Fluorescence Spectra |
| title_fullStr | On the Estimation of Excited-State Dipole Moments from Solvatochromic Shifts of Absorption and Fluorescence Spectra |
| title_full_unstemmed | On the Estimation of Excited-State Dipole Moments from Solvatochromic Shifts of Absorption and Fluorescence Spectra |
| title_short | On the Estimation of Excited-State Dipole Moments from Solvatochromic Shifts of Absorption and Fluorescence Spectra |
| title_sort | on the estimation of excited-state dipole moments from solvatochromic shifts of absorption and fluorescence spectra |
| title_unstemmed | On the Estimation of Excited-State Dipole Moments from Solvatochromic Shifts of Absorption and Fluorescence Spectra |
| topic | Physical and Theoretical Chemistry, General Physics and Astronomy, Mathematical Physics |
| url | http://dx.doi.org/10.1515/zna-2002-0509 |