mason_1996
==========

N\. J\. Mason, J\. M\. Gingell, J\. A\. Davies, H\. Zhao, I\. C\. Walker and M\. R\. F\. Siggel, "VUV optical absorption and electron energy\-loss spectroscopy of ozone", J\. Phys\. B\: At\. Mol\. Opt\. Phys\. 29, 3075 \(1996\)

`Source record <https://github.com/LupoLab/optmat/blob/main/src/optmat/data/sources/mason_1996.toml>`__ · :doc:`Catalogue </the-data/sources>` · :doc:`Review register </register>`

DOI: `10\.1088/0953\-4075/29/14/019 <https://doi.org/10.1088/0953-4075/29/14/019>`__

**Source kind:** measurement

**Recorded technique:** Synchrotron\-radiation absorption at the SERC Daresbury source, Beam Line 3\.1, with the Daresbury Laboratory molecular science absorption apparatus\: a 16 cm cell between LiF windows, a sodium\-salicylate\-coated exit window and photomultiplier; low\-energy grating, 2\.3 eV \(540 nm\) to the LiF cut\-off 11\.3 eV \(110 nm\), covered in sections of about 20 nm scanned in steps of 0\.05 nm; fixed sample pressure 10 mTorr \- 1 Torr \(Baratron\), ring current monitored, I0 from the evacuated cell; Beer\-Lambert law \(Eq\. 1\); checked for line saturation \(pp\. 3077\-3078\)\. Sample\: an ozone/oxygen mixture \(about 45 % O3\) from a calibrated storage bulb \(Davies et al\. 1993\)\. Also near\-threshold electron energy\-loss spectra \(trapped\-electron spectrometer\), not optical data\.

**Materials in structured entries:** O3

**Dataset quantities:** interval\_oscillator\_strength

**Contents:** 13 datasets; 0 formulas.

Curation notes
--------------

Identity checked against the first page \(PDF page 2, journal p\. 3075\)\: Mason, Gingell, Davies, Zhao, Walker and Siggel, J\. Phys\. B 29, 3075 \(1996\)\. Journal pages 3075\-3089 = PDF pages 2\-16 \(page 1 is the publisher's cover\)\. O3 only\.

The cross sections are given only in figures\: Fig\. 5 \(105\-480 nm, 3\.5\-11\.3 eV, in Mb against photon energy\), Fig\. 6 \(the Hartley and Huggins bands\), Fig\. 7 \(the Rydberg region\); 'The final VUV absorption cross sections for ozone for 354 \> lambda \> 110 nm \(3\.5 \< E \< 11\.3 eV\) are given in figures 5\-7' \(p\. 3079\)\. No table of cross sections \(the Mainz atlas's Mason data are a digitisation of Fig\. 5\)\.

Facts for the data files \(pages checked on the page images\)\: \- Absolute scale \(pp\. 3079\-3080\)\: the O2 part of the mixture was removed by normalising the mixture's spectrum to a pure\-O2 spectrum at the O2 band at 9\.96 eV, 'fully consistent with the previously calibrated concentrations' \(about 45 % O3, less than 2 % degradation in the cell\); a CO impurity \(A 1Pi bands, 6\-8 eV, from ozone attacking the viton seals\) was also subtracted\. 'By normalizing the present data at lambda = 253 nm to the value of Mauersberger \[Mauersberger et al\. 1987\], it was possible to reconfirm the ozone partial pressures within the gas cell and monitor any degradation'\: the Hartley peak is tied to Mauersberger et al\.'s 253 nm cross section\. \- Uncertainty\: not stated for ozone\. 'Having measured cross sections for many other molecular targets in this region with excellent \(\<= 5%\) agreement to current standards and with no indication of wavelength dependence in the detection efficiencies, we are confident that the present results are the most reliable ozone VUV absorption cross sections for 185 \> lambda \> 110 nm \(6\.7 \< E \< 11\.3 eV\) currently available' \(p\. 3085\)\. \- Wavelengths\: vacuum \(a vacuum\-ultraviolet synchrotron monochromator; not stated explicitly\); the figures are in photon energy\. \- Temperature\: not stated \(room temperature; the atlas's 298 K is not in the paper\)\. \- Resolution\: not stated; sampling 0\.05 nm steps \(p\. 3077\); 'the higher resolution in the present data reveals fine structure within features 4\-7' \(p\. 3079\)\.

Datasets\: Table 3 \(image checked\), the oscillator strengths of band structures\: the present values \('Integration of the cross section over all wavelengths \(3\.75 \< E \< 6\.25 eV\) of the Hartley band', p\. 3084\) and those of other experiments and theories \(reproduced\)\. Format need, as kumar\_2010\_supplement\: an interval\-integrated oscillator strength has no quantity of its own; oscillator\_strength at the interval's lower edge E\_1 \(eV\) is used, the interval in the row id\. Check \(2026\-09\-25\)\: the present values over the contiguous intervals 3\.75\-6\.25, 6\.25\-7\.50, 7\.50\-8\.90, 8\.90\-9\.76, 9\.76\-10\.70 and 10\.70\-11\.25 eV sum to 0\.3692, the total oscillator strength below 11\.25 eV\.

Not extracted\: Table 1 \(band centres in eV of features 1\-7, present and four earlier works\) and Table 2 \(Rydberg states\: energies, assignments, quantum defects, term values\)\: no vocabulary quantity\. The first three vertical ionisation energies quoted, 12\.75, 13\.03 and 13\.57 eV, and the adiabatic 12\.52 eV used \(p\. 3083\), are reproduced from photoelectron work\.

**Recorded bibliographic identity status:** VALIDATED\_WITH\_WARNINGS. This concerns identification of the source; it does not establish the scientific correctness of its contents.

Datasets
--------

mason\_1996/present
~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "present",
     "material": "O3",
     "file": "O3/mason_1996__present.csv",
     "table": "tbl_cf055268b405",
     "quantity": "interval_oscillator_strength",
     "abscissa_unit": "eV",
     "columns": {
       "x_upper": "eV"
     },
     "use": "check"
   }

Table 3 'Present'\: oscillator strengths integrated from this paper's cross section over 8 intervals \(3\.675\-3\.956 eV, the Huggins band; 4\.13\-6\.20 and 3\.75\-6\.25 eV, the Hartley band; then 6\.25\-11\.25 eV\)\. The last interval ends at 11\.25 eV \(note a\), not 11\.30\. Abscissa\: the interval's lower edge E\_1 \(eV\), row id the interval\. Integrated band strengths\: a check \(the cross section itself is only in figures\)\. Uncertainty not stated\.

mason\_1996/johnstone\_1992
~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "johnstone_1992",
     "material": "O3",
     "file": "O3/mason_1996__johnstone_1992.csv",
     "table": "tbl_cf055268b405",
     "quantity": "interval_oscillator_strength",
     "abscissa_unit": "eV",
     "columns": {
       "x_upper": "eV"
     },
     "use": "reproduced",
     "reproduced_from": [
       "W. M. Johnstone, N. J. Mason, W. R. Newell, P. Biggs, G. Marston and R. P. Wayne, J. Phys. B: At. Mol. Opt. Phys. 25, 1 (1992)"
     ]
   }

Table 3 'Johnstone et al'\: electron energy\-loss \(EEL\) oscillator strengths, 3\.75\-11\.30 eV \(6 intervals\)\. The paper prefers Davies et al\.'s corrected values \(p\. 3084\)\. Abscissa\: the interval's lower edge E\_1 \(eV\), row id the interval\.

mason\_1996/davies\_1993
~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "davies_1993",
     "material": "O3",
     "file": "O3/mason_1996__davies_1993.csv",
     "table": "tbl_cf055268b405",
     "quantity": "interval_oscillator_strength",
     "abscissa_unit": "eV",
     "columns": {
       "x_upper": "eV"
     },
     "use": "reproduced",
     "reproduced_from": [
       "J. A. Davies, W. M. Johnstone, N. J. Mason, P. Biggs and R. P. Wayne, J. Phys. B: At. Mol. Opt. Phys. 26, L767 (1993)"
     ]
   }

Table 3 'Davies'\: EEL oscillator strengths corrected for background effects, 'to be preferred' to Johnstone et al\.'s \(p\. 3084\); 6 intervals, 3\.75\-11\.30 eV\. Abscissa\: the interval's lower edge E\_1 \(eV\), row id the interval\.

mason\_1996/tanaka\_1953
~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "tanaka_1953",
     "material": "O3",
     "file": "O3/mason_1996__tanaka_1953.csv",
     "table": "tbl_cf055268b405",
     "quantity": "interval_oscillator_strength",
     "abscissa_unit": "eV",
     "columns": {
       "x_upper": "eV"
     },
     "use": "reproduced",
     "reproduced_from": [
       "tanaka_1953"
     ]
   }

Table 3 'Tanaka et al'\: oscillator strengths of Tanaka, Inn and Watanabe's \(1953\) absorption, 6\.25\-11\.30 eV \(5 intervals\)\. tanaka\_1953 prints no f values\: these are integrals of their Fig\. 1 made by Mason et al\. or an earlier author \(not stated\)\. Abscissa\: the interval's lower edge E\_1 \(eV\), row id the interval\.

mason\_1996/brion\_1984
~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "brion_1984",
     "material": "O3",
     "file": "O3/mason_1996__brion_1984.csv",
     "table": "tbl_cf055268b405",
     "quantity": "interval_oscillator_strength",
     "abscissa_unit": "eV",
     "columns": {
       "x_upper": "eV"
     },
     "use": "reproduced",
     "reproduced_from": [
       "J. Brion, D. Daumont and J. Malicet, J. Physique Lett. 45, L57 (1984)"
     ]
   }

Table 3 'Brion et al \(1984\)'\: 5\.02e\-5 over 3\.675\-3\.956 eV \(the Huggins band\), 'Measured at 294 K' \(note b\)\. Abscissa\: the interval's lower edge E\_1 \(eV\), row id the interval\.

mason\_1996/inn\_tanaka\_1953
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "inn_tanaka_1953",
     "material": "O3",
     "file": "O3/mason_1996__inn_tanaka_1953.csv",
     "table": "tbl_cf055268b405",
     "quantity": "interval_oscillator_strength",
     "abscissa_unit": "eV",
     "columns": {
       "x_upper": "eV"
     },
     "use": "reproduced",
     "reproduced_from": [
       "inn_1953_ozone"
     ]
   }

Table 3 'Inn & Tanaka'\: 8\.8e\-2 over 4\.13\-6\.20 eV, Inn and Tanaka's Hartley continuum f = 0\.088 \(inn\_1953\_ozone/f\_hartley\), placed here on 4\.13\-6\.20 eV \(200\-300 nm\)\. Abscissa\: the interval's lower edge E\_1 \(eV\), row id the interval\.

mason\_1996/molina\_1986
~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "molina_1986",
     "material": "O3",
     "file": "O3/mason_1996__molina_1986.csv",
     "table": "tbl_cf055268b405",
     "quantity": "interval_oscillator_strength",
     "abscissa_unit": "eV",
     "columns": {
       "x_upper": "eV"
     },
     "use": "reproduced",
     "reproduced_from": [
       "Molina L J and Molina M J 1986 J. Geophys. Res. 91 14501"
     ]
   }

Table 3 'Molina & Molina'\: 9\.08e\-2 over 3\.75\-6\.25 eV \(the Hartley band; 'the NASA standard', p\. 3085\)\. Abscissa\: the interval's lower edge E\_1 \(eV\), row id the interval\.

mason\_1996/borowski\_1995
~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "borowski_1995",
     "material": "O3",
     "file": "O3/mason_1996__borowski_1995.csv",
     "table": "tbl_cf055268b405",
     "quantity": "interval_oscillator_strength",
     "abscissa_unit": "eV",
     "columns": {
       "x_upper": "eV"
     },
     "use": "reproduced",
     "reproduced_from": [
       "Borowski P, Fulsher M, Malmqvist P A and Ross B O 1995 Chem. Phys. Lett. 23 7195 (as printed; volume and page run together)"
     ]
   }

Table 3 theory 'Borowski et al'\: Hartley band 8\.9e\-2 \(4\.13\-6\.20 eV\)\. The reference's volume and page are run together in print \('23 7195'\); cited as printed\. Abscissa\: the interval's lower edge E\_1 \(eV\), row id the interval\.

mason\_1996/tsuneda\_1995
~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "tsuneda_1995",
     "material": "O3",
     "file": "O3/mason_1996__tsuneda_1995.csv",
     "table": "tbl_cf055268b405",
     "quantity": "interval_oscillator_strength",
     "abscissa_unit": "eV",
     "columns": {
       "x_upper": "eV"
     },
     "use": "reproduced",
     "reproduced_from": [
       "T. Tsuneda, H. Nakano and K. Hirao, J. Chem. Phys. 103, 6520 (1995)"
     ]
   }

Table 3 theory 'Tsuneda et al'\: Hartley band \(4\.13\-6\.20 eV\), CASPT2\(g2\) 8\.9e\-2 and MRMP 8\.0e\-2 \(note c\), two rows\. Abscissa\: the interval's lower edge E\_1 \(eV\), row id the interval\.

mason\_1996/hay\_dunning\_1977
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "hay_dunning_1977",
     "material": "O3",
     "file": "O3/mason_1996__hay_dunning_1977.csv",
     "table": "tbl_cf055268b405",
     "quantity": "interval_oscillator_strength",
     "abscissa_unit": "eV",
     "columns": {
       "x_upper": "eV"
     },
     "use": "reproduced",
     "reproduced_from": [
       "P. J. Hay and T. H. Dunning, J. Chem. Phys. 67, 2290 (1977)"
     ]
   }

Table 3 theory 'Hay & Dunning'\: 23\.0e\-2 over 3\.75\-6\.25 eV \(2\.5 times the measured Hartley strength\)\. Abscissa\: the interval's lower edge E\_1 \(eV\), row id the interval\.

mason\_1996/thunemann\_1978
~~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "thunemann_1978",
     "material": "O3",
     "file": "O3/mason_1996__thunemann_1978.csv",
     "table": "tbl_cf055268b405",
     "quantity": "interval_oscillator_strength",
     "abscissa_unit": "eV",
     "columns": {
       "x_upper": "eV"
     },
     "use": "reproduced",
     "reproduced_from": [
       "K. H. Thunemann, S. D. Peyerimhoff and R. J. Buenker, J. Mol. Spectrosc. 70, 432 (1978)"
     ]
   }

Table 3 theory 'Thunemann et al'\: 5 intervals\. Abscissa\: the interval's lower edge E\_1 \(eV\), row id the interval\.

mason\_1996/nordfors\_1991
~~~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "nordfors_1991",
     "material": "O3",
     "file": "O3/mason_1996__nordfors_1991.csv",
     "table": "tbl_cf055268b405",
     "quantity": "interval_oscillator_strength",
     "abscissa_unit": "eV",
     "columns": {
       "x_upper": "eV"
     },
     "use": "reproduced",
     "reproduced_from": [
       "Nordfors D, Agren H and Jensen J H 1991 Int. J. Quantum Chem. 40 475 (as printed)"
     ]
   }

Table 3 theory 'Nordfors et al'\: 4 intervals\. Abscissa\: the interval's lower edge E\_1 \(eV\), row id the interval\.

mason\_1996/padial\_1981
~~~~~~~~~~~~~~~~~~~~~~~~

.. code-block:: text

   {
     "id": "padial_1981",
     "material": "O3",
     "file": "O3/mason_1996__padial_1981.csv",
     "table": "tbl_cf055268b405",
     "quantity": "interval_oscillator_strength",
     "abscissa_unit": "eV",
     "columns": {
       "x_upper": "eV"
     },
     "use": "reproduced",
     "reproduced_from": [
       "N. Padial, G. Csanak, B. V. McKoy and P. W. Langhoff, J. Chem. Phys. 74, 4581 (1981)"
     ]
   }

Table 3 theory 'Padial et al'\: 4 intervals, 7\.50\-11\.30 eV \(up to 10 times the measured values\)\. Abscissa\: the interval's lower edge E\_1 \(eV\), row id the interval\.

Formulas
--------

No formulas are recorded.

Corrections
-----------

No dataset errata are recorded in this source record.

Formula corrections, where recorded, appear with their formulas above. Curation notes may also discuss corrections or unresolved interpretation. Consult the :doc:`review register </register>` for the checks and decisions.