The interpretation of the Wulf absorption band of ozone

Boris Minaev; Hans Ågren

doi:10.1016/0009-2614(93)E1445-M

The interpretation of the Wulf absorption band of ozone

Boris Minaev^*
, Hans Ågren

^*Corresponding author for this work

Cherkassy Engeneering and Technological Institute
Linköping University

Research output: Contribution to journal › Article › peer-review

60 Scopus citations

Abstract

Intensities and energies of the three lowest singlet-triplet transitions of the ozone molecule have been obtained by means of analytic response theory calculations based on multi-configuration wavefunctions. Contrary of the accepted interpretation of a ¹A₂←X¹A₁ transition we find that the lowest electronic band in the ozone spectrum, the Wulf band, is due to a singlet-triplet ³A₂←X¹A₁ transition (oscillator strength 6 × 10^-7). The calculations also explain the absence of observable absorption to the lowest a ³B₂ state because of negligible oscillator strength (8 × 10^-10).

Original language	English
Pages (from-to)	531-538
Number of pages	8
Journal	Chemical Physics Letters
Volume	217
Issue number	5-6
DOIs	https://doi.org/10.1016/0009-2614(93)E1445-M
State	Published - 28 Jan 1994
Externally published	Yes

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abstract = "Intensities and energies of the three lowest singlet-triplet transitions of the ozone molecule have been obtained by means of analytic response theory calculations based on multi-configuration wavefunctions. Contrary of the accepted interpretation of a 1A2←X1A1 transition we find that the lowest electronic band in the ozone spectrum, the Wulf band, is due to a singlet-triplet 3A2←X1A1 transition (oscillator strength 6 × 10-7). The calculations also explain the absence of observable absorption to the lowest a 3B2 state because of negligible oscillator strength (8 × 10-10).",

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AU - Ågren, Hans

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N2 - Intensities and energies of the three lowest singlet-triplet transitions of the ozone molecule have been obtained by means of analytic response theory calculations based on multi-configuration wavefunctions. Contrary of the accepted interpretation of a 1A2←X1A1 transition we find that the lowest electronic band in the ozone spectrum, the Wulf band, is due to a singlet-triplet 3A2←X1A1 transition (oscillator strength 6 × 10-7). The calculations also explain the absence of observable absorption to the lowest a 3B2 state because of negligible oscillator strength (8 × 10-10).

AB - Intensities and energies of the three lowest singlet-triplet transitions of the ozone molecule have been obtained by means of analytic response theory calculations based on multi-configuration wavefunctions. Contrary of the accepted interpretation of a 1A2←X1A1 transition we find that the lowest electronic band in the ozone spectrum, the Wulf band, is due to a singlet-triplet 3A2←X1A1 transition (oscillator strength 6 × 10-7). The calculations also explain the absence of observable absorption to the lowest a 3B2 state because of negligible oscillator strength (8 × 10-10).

UR - https://www.scopus.com/pages/publications/0000490156

U2 - 10.1016/0009-2614(93)E1445-M

DO - 10.1016/0009-2614(93)E1445-M

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VL - 217

SP - 531

EP - 538

JO - Chemical Physics Letters

JF - Chemical Physics Letters

IS - 5-6

ER -

The interpretation of the Wulf absorption band of ozone

Abstract

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