Absorption cross section spectrum for vibrationally excited iodine monoxide IO(v'<-v")
--------------------------------------------------------------------------------------
Recorded and analysed by:
Peter Spietz, Juan Carlos Gómez Martín and John P. Burrows
The Institute of Environmental Physics and Remote Sensing
University of Bremen
28334 Bremen
PO-Box 330440 
spietz@iup.physik.uni-bremen.de

Released: 25th of May 2005

Published: 
Peter Spietz (2005): "ABSORPTION CROSS SECTIONS FOR IODINE SPECIES OF 
RELEVANCE TO THE PHOTOLYSIS OF MIXTURES OF I2 AND O3 AND FOR THE ATMOSPHERE",
Thesis submitted at 29th of March 2005 to the Committee of the Doctoral Program
"Doktor rerum naturalium" at the Department of Physics at the Univeristy of Bremen.

Version IO_exc_1.3nm_2005_05_25_ps

Experiment type:
- Xenon flash photolysis of mixtures of I2+O3 in bath gases O2 and/or N2.
- Flow mode, pressure range 15 to 400 mbar. See below for pressure effects.
- 298K
- Analysis light source: Xenon arc lamp.
- Detection system: 
  - Grating spectrometer Acton Research Company SP500,
    500mm focal length, grating 150 grooves/mm.
  - CCD camera Roper Scientific, 1024 x 1024 pixels, 26µm x 26µm pixel size,
    operated in time resolved mode.
  - linear dispersion 0.23nm / pixel
- Slit width 50 µm, Field of View filled =>
- Resolution: 1.3nm FWHM
- Reaction vessel: Quarz, 120 cm, multi path optics (White type), 
  mirrors: Al + MgF2, path length from 2400 cm to 3360 cm

Analysis:
- Absorptions from different absorbers separated by Principal Components Analysis,
  Independent Components Analysis and Least Squares Techniques. Separated 
  from ground state IO. The present spectrum contains only absorption bands from 
  IO(v'<-v") with v">0.
- Separation verified: Spectra are free of other absorptions with a
  remaining uncertainty of estimated 3% in the main bands. In the
  troughs and at the blue end remaining negative structures from
  incomplete separation from groundstate IO are present.
Details: Gómez Martín, J.C.,  P. Spietz, J. Orphal and J. P. Burrows (2004): 
"Principal and Independent Component Analysis of Overlapping Spectra in the Context 
of Mulichannel Time-resolved Absorption Spectroscopy". Spectro. Chim. Acta A, Vol. 60, pp. 2673-2693

Vertical axis:
- Optical density of IO(v'<-v")
- Scaled to absorption cross section determined for maximum of IO(3<-1)
  at 449.3nm.
- Absorption cross section:
    Determined by conservation of iodine atoms => Independent of
    previously determined rate coefficients and models of IO formation
    and consumption. Used only absorption cross sections of I2(500 nm) and I(183.038nm)
    ATTENTION: Apparent cross section depends on resolution. Therefore
    the present spectrum is scaled to that cross section which is
    appropriate at the given FWHM of 1.3 nm!
    sigma(IO(3<-1), 1.3 nm FWHM)  = (2.4 +- 0.3)E-17 cm^/molec
   (MIntAS corrected:
    sigma(IO(3<-1), 0.12 nm FWHM) = (4.5 +- 0.5)E-17 cm^/molec)  )
    ATTENTION: The scaling is correct ONLY for those bands of v"=1. For
    v">1 the absolute scaling is not defined due to the measurement and
    separation procedure.
- pressure dependence:
   - No statement possible, because vibrationally excite IO was only observable 
     at pressures below 100 mbar. At higher pressures the signal was strongly suppressed 
     due to collisional quenching. 
   - IO(2<-1): In anology to IO(2<-0) a pressure effect should be expected. But for the 
     reasons given above not observable.

Horizontal axis:
- calibrated against Mercury Cadmium line source measurement (wavelength in air).
  Residuals below 0.1 nm.
- Transferred to vaccuum wavelength by Edlen's formula (see Morton (1991) ApJS, 77, 119)

Uncertainty estimate:
- Based on individual uncertainty estimate of extracted spectra from individual
  experimental data sets (54 data sets analysed).
- Resulted from weighted average of individua results and error propagation according to Gauss.

Data:
- wavelength in air [nm]:                 lambdaAir
- wavelength in vacuum [nm]:              lambdaVac
- wavenumber [1/cm]:                      wavenumber
- absorption cross section [cm^2/molec]:  sigIOex_app       (apparent sigma at 1.3nm FWHM!!)
- relative uncertainty:                   reluncert


lambdaAir lambdaVac wavenumber  sigIOex_app   reluncert
------------------------------------------------------
418.85889 418.97693 23867.66266 4.3683E-19 3.6073E-19
419.17218 419.2903 23849.8245 -5.17234E-19 2.11715E-19
419.48546 419.60367 23832.01298 -1.02753E-18 6.42779E-19
419.79875 419.91703 23814.22805 -8.21732E-20 6.79229E-19
420.11203 420.2304 23796.46965 -1.67189E-18 1.19598E-18
420.42532 420.54377 23778.7377 -7.86105E-21 4.73835E-19
420.73861 420.85714 23761.03217 1.18502E-18 6.21436E-19
421.05189 421.17051 23743.35292 -6.56125E-19 4.98105E-20
421.36518 421.48388 23725.70002 1.74285E-18 5.81562E-19
421.67846 421.79724 23708.07335 1.78717E-18 4.55169E-19
421.99175 422.11061 23690.47285 2.76322E-18 6.51287E-19
422.30504 422.42398 23672.89847 1.85413E-18 5.27499E-19
422.61832 422.73735 23655.35014 3.33751E-18 7.92551E-19
422.93161 423.05072 23637.8278 3.53567E-18 5.74522E-19
423.24489 423.36409 23620.33141 2.9662E-18 5.17906E-19
423.55818 423.67745 23602.86089 2.67349E-18 5.15502E-19
423.87147 423.99082 23585.4162 2.25405E-18 7.57456E-19
424.18475 424.30419 23567.99728 3.58922E-18 6.51617E-19
424.49804 424.61756 23550.60407 1.44641E-18 1.48916E-18
424.81132 424.93093 23533.23651 2.48518E-18 5.37477E-19
425.12461 425.2443 23515.89455 2.46141E-18 1.04526E-18
425.4379 425.55766 23498.57807 3.18202E-18 7.33942E-19
425.75118 425.87103 23481.28713 3.55328E-18 6.9853E-19
426.06447 426.1844 23464.02162 3.5117E-18 8.93687E-19
426.37776 426.49777 23446.78148 3.86731E-18 9.31905E-19
426.69104 426.81114 23429.56665 2.68232E-18 1.45014E-18
427.00433 427.12451 23412.37709 9.21746E-19 1.70115E-18
427.31761 427.43787 23395.21273 -6.99885E-19 1.20377E-18
427.6309 427.75124 23378.07352 -1.97271E-18 1.00868E-18
427.94418 428.06461 23360.9594 -1.08682E-18 7.92038E-19
428.25747 428.37798 23343.87032 -1.43257E-18 5.24802E-19
428.57076 428.69135 23326.80622 -5.7938E-19 4.7199E-19
428.88404 429.00472 23309.76705 1.26028E-19 1.10762E-18
429.19733 429.31808 23292.75276 1.64308E-18 6.78919E-19
429.51061 429.63145 23275.76329 1.99173E-18 5.38584E-19
429.8239 429.94482 23258.79858 1.48667E-18 1.26163E-18
430.13719 430.25819 23241.85853 2.58049E-18 9.98238E-19
430.45047 430.57156 23224.94319 4.0145E-18 1.13463E-18
430.76376 430.88493 23208.05245 4.0852E-18 1.05034E-18
431.07705 431.1983 23191.18627 3.4771E-18 1.31157E-18
431.39033 431.51166 23174.34458 5.79678E-18 1.11701E-18
431.70362 431.82503 23157.52733 3.35876E-18 1.48592E-18
432.0169 432.1384 23140.73448 3.48429E-18 1.65123E-18
432.33019 432.45177 23123.96596 4.2112E-18 1.36486E-18
432.64348 432.76514 23107.22172 3.4426E-18 1.43204E-18
432.95676 433.07851 23090.50172 5.96029E-18 1.56964E-18
433.27005 433.39187 23073.8059 7.11491E-18 9.35385E-19
433.58333 433.70524 23057.1342 5.1366E-18 1.54935E-18
433.89662 434.01861 23040.48658 4.2408E-18 2.02915E-18
434.20991 434.33198 23023.86297 3.22353E-18 1.88779E-18
434.52319 434.64535 23007.26329 4.91454E-18 1.34236E-18
434.83648 434.95872 22990.68758 5.53364E-18 2.03486E-18
435.14977 435.27209 22974.13573 5.58866E-18 2.92013E-18
435.46305 435.58546 22957.6077 3.97837E-18 3.25313E-18
435.77634 435.89882 22941.10343 -2.00179E-18 3.08786E-18
436.08962 436.21219 22924.62288 -1.38517E-18 2.20673E-18
436.40291 436.52556 22908.16599 -2.97763E-18 2.71446E-18
436.71619 436.83893 22891.7327 -1.94338E-18 2.21676E-18
437.02948 437.1523 22875.32298 -1.11004E-18 1.32202E-18
437.34277 437.46567 22858.93677 3.19822E-19 9.78132E-19
437.65605 437.77903 22842.57401 6.09701E-19 7.31654E-19
437.96934 438.0924 22826.23467 7.38382E-19 1.46164E-18
438.28263 438.40577 22809.91868 1.66879E-19 1.31648E-18
438.59591 438.71914 22793.626 5.54677E-19 1.01338E-18
438.9092 439.03251 22777.35658 2.5866E-18 1.08279E-18
439.22248 439.34588 22761.11031 7.61115E-18 2.63678E-18
439.53577 439.65925 22744.88726 1.06535E-17 3.48794E-18
439.84906 439.97262 22728.68731 1.25991E-17 2.98342E-18
440.16234 440.28598 22712.51043 1.50652E-17 2.51549E-18
440.47563 440.59935 22696.35655 1.41884E-17 1.77908E-18
440.78891 440.91272 22680.22564 1.02574E-17 2.08666E-18
441.1022 441.22609 22664.11764 7.45822E-18 1.90817E-18
441.41549 441.53946 22648.03251 4.49714E-18 1.46875E-18
441.72877 441.85283 22631.97018 2.85182E-18 1.93173E-18
442.04206 442.1662 22615.93063 3.69055E-18 1.04393E-18
442.35534 442.47956 22599.9138 2.18105E-18 1.23627E-18
442.66863 442.79293 22583.91963 2.06966E-18 1.43604E-18
442.98192 443.1063 22567.94809 1.33315E-18 2.39316E-18
443.26982 443.39428 22553.29045 1.70897E-18 6.71182E-19
443.58141 443.70595 22537.44835 1.52773E-18 6.18528E-19
443.89301 444.01764 22521.62799 7.61005E-19 7.95637E-19
444.2046 444.32931 22505.83032 1.13505E-18 5.47352E-19
444.51619 444.64098 22490.05481 1.84105E-18 1.59814E-18
444.82778 444.95265 22474.30139 2.01944E-18 1.38628E-18
445.13937 445.26432 22458.57003 2.52006E-18 2.04726E-18
445.45097 445.57601 22442.86017 3.1945E-18 2.338E-18
445.76256 445.88768 22427.17278 1.75609E-18 1.82686E-18
446.07415 446.19935 22411.5073 -2.39679E-19 1.21083E-18
446.38574 446.51102 22395.86369 3.9188E-19 9.87522E-19
446.69733 446.82269 22380.24191 -4.75585E-19 7.81277E-19
447.00892 447.13437 22364.6419 -2.22424E-18 1.09845E-18
447.32052 447.44605 22349.06313 -3.37118E-18 6.70974E-19
447.63211 447.75772 22333.50654 -1.37896E-18 9.66502E-19
447.9437 448.06939 22317.97159 1.62675E-18 7.05938E-19
448.25529 448.38107 22302.45825 9.1595E-18 5.96884E-19
448.56688 448.69274 22286.96645 1.66778E-17 8.18946E-19
448.87847 449.00441 22271.49616 2.30675E-17 8.26022E-19
449.19007 449.31609 22256.04684 2.47253E-17 1.0408E-18
449.50166 449.62776 22240.61943 2.27867E-17 1.02436E-18
449.81325 449.93944 22225.21339 1.67471E-17 1.15423E-18
450.12484 450.25111 22209.82868 1.20139E-17 1.06369E-18
450.43643 450.56278 22194.46526 8.89409E-18 5.05936E-19
450.74802 450.87445 22179.12307 7.06642E-18 6.79507E-19
451.05961 451.18613 22163.80208 4.69559E-18 1.16859E-18
451.37121 451.49781 22148.50176 4.60331E-18 8.38926E-19
451.6828 451.80948 22133.22303 2.04379E-18 6.28726E-19
451.99439 452.12115 22117.96537 4.00457E-19 7.65876E-19
452.30598 452.43283 22102.72873 7.6272E-19 8.22276E-19
452.61757 452.7445 22087.51306 6.1292E-20 4.24978E-19
452.92917 453.05618 22072.31785 -4.77986E-19 4.56196E-19
453.24076 453.36785 22057.14401 2.69982E-19 8.23733E-19
453.55235 453.67952 22041.99102 -7.84675E-19 8.53494E-19
453.86394 453.9912 22026.85884 -1.04391E-18 8.77219E-19
454.17553 454.30287 22011.74742 -3.02915E-19 1.08201E-18
454.48712 454.61454 21996.65672 -1.59565E-18 9.46107E-19
454.79872 454.92622 21981.58621 -2.11549E-18 8.84295E-19
455.11031 455.2379 21966.53682 -1.76558E-18 9.98136E-19
455.4219 455.54957 21951.50803 -2.85431E-18 1.13737E-18
455.73349 455.86124 21936.49978 -3.92749E-18 1.24934E-18
456.04508 456.17291 21921.51205 -3.27844E-18 8.80757E-19
456.35667 456.48458 21906.54477 -2.80491E-18 8.72016E-19
456.66827 456.79627 21891.59745 -1.90303E-18 7.08643E-19
456.97986 457.10794 21876.67098 -2.20663E-18 8.82839E-19
457.29145 457.41961 21861.76486 -1.19577E-18 5.87727E-19
457.60304 457.73128 21846.87904 -9.97711E-19 5.95635E-19
457.91463 458.04296 21832.01347 2.2893E-18 7.6213E-19
458.22622 458.35463 21817.16812 1.01485E-17 1.04704E-18
458.53782 458.66631 21802.34247 1.70599E-17 6.85542E-19
458.84941 458.97798 21787.53743 2.34976E-17 4.41627E-19
459.161 459.28966 21772.75248 2.45666E-17 6.49954E-19
459.47259 459.60133 21757.98759 2.18301E-17 5.17799E-19
459.78418 459.913 21743.2427 1.77248E-17 1.32904E-18
460.09577 460.22467 21728.51779 1.22936E-17 1.51698E-18
460.40737 460.53636 21713.81234 8.04092E-18 1.07015E-18
460.71896 460.84803 21699.12725 5.51022E-18 1.06765E-18
461.03055 461.1597 21684.462 3.86323E-18 8.22068E-19
461.34214 461.47137 21669.81657 2.21806E-18 7.39861E-19
461.65373 461.78305 21655.19091 1.78181E-18 9.23214E-19
461.96532 462.09472 21640.58497 5.51285E-19 4.81586E-19
462.27692 462.4064 21625.99826 4.04116E-19 4.90535E-19
462.58851 462.71807 21611.43166 7.60433E-19 6.78882E-19
462.9001 463.02974 21596.88468 5.50828E-19 5.23834E-19
463.21169 463.34142 21582.35726 1.57838E-18 9.30914E-19
463.52328 463.65309 21567.84938 2.15437E-19 6.50786E-19
463.83487 463.96476 21553.36099 -2.74556E-19 1.08763E-18
464.14647 464.27644 21538.89158 -9.15035E-19 7.61089E-19
464.45806 464.58812 21524.44205 -1.38936E-18 5.15718E-19
464.76965 464.89979 21510.0119 -1.68004E-18 7.42983E-19
465.08124 465.21146 21495.60108 -1.39016E-18 7.88769E-19
465.39283 465.52313 21481.20956 -6.62663E-19 6.16863E-19
465.70442 465.83481 21466.8373 -2.88278E-19 7.01151E-19
466.01602 466.14649 21452.48379 -6.43909E-19 7.18009E-19
466.32761 466.45816 21438.14993 -1.14294E-18 1.0075E-18
466.6392 466.76983 21423.8352 6.41279E-19 9.15513E-19
466.95079 467.08151 21409.53958 1.52224E-18 6.38091E-19
467.26238 467.39318 21395.26303 2.34968E-18 9.91268E-19
467.57397 467.70485 21381.0055 3.73012E-19 8.25814E-19
467.88557 468.01653 21366.76651 -7.77814E-19 8.39134E-19
468.19716 468.32821 21352.54692 -4.4734E-19 6.84918E-19
468.50875 468.63988 21338.34625 1.74122E-18 7.00943E-19
468.82034 468.95155 21324.16446 8.6264E-18 8.0417E-19
469.13193 469.26322 21310.0015 1.48308E-17 7.62962E-19
469.44352 469.5749 21295.85734 2.006E-17 9.0594E-19
469.75512 469.88658 21281.73149 2.13124E-17 1.01437E-18
470.06671 470.19825 21267.62483 2.00645E-17 1.13862E-18
470.3783 470.50992 21253.53685 1.57679E-17 1.10511E-18
470.68989 470.8216 21239.46752 1.07922E-17 9.64005E-19
471.00148 471.13327 21225.41681 6.91685E-18 1.27764E-18
471.31307 471.44494 21211.38467 4.29239E-18 9.07813E-19
471.62467 471.75662 21197.37063 2.14076E-18 1.04996E-18
471.93626 472.0683 21183.37554 4.37964E-20 8.23317E-19
472.24785 472.37997 21169.39892 -7.55058E-19 1.40563E-18
472.55944 472.69164 21155.44073 4.84619E-19 1.14465E-18
472.87103 473.00331 21141.50093 2.55002E-18 1.40875E-18
473.18262 473.31499 21127.5795 4.3236E-18 1.36463E-18
473.49422 473.62667 21113.67593 5.27649E-18 1.17608E-18
473.80581 473.93834 21099.79111 4.8917E-18 6.93243E-19
474.1174 474.25001 21085.92453 3.50359E-18 8.01256E-19
474.42899 474.56169 21072.07616 2.57061E-18 1.03809E-18
474.74058 474.87336 21058.24597 2.00514E-18 6.57446E-19
475.05217 475.18503 21044.43393 5.99884E-19 5.84605E-19
475.36377 475.49671 21030.63955 -2.05946E-19 7.39237E-19
475.67536 475.80839 21016.86368 -1.75071E-19 7.39029E-19
475.98695 476.12006 21003.10585 -3.81703E-19 6.93243E-19
476.29854 476.43173 20989.36601 -7.28643E-19 6.90953E-19
476.61013 476.7434 20975.64415 -6.16008E-19 5.28829E-19
476.92172 477.05508 20961.94021 -1.48084E-19 1.19148E-18
477.23332 477.36676 20948.25373 -2.34762E-19 5.85645E-19
477.54491 477.67843 20934.58554 -4.75928E-19 8.6827E-19
477.8565 477.9901 20920.93519 -4.56717E-19 8.30393E-19
478.16809 478.30178 20907.30262 -4.66437E-19 9.92517E-19
478.47968 478.61345 20893.6878 -1.22287E-18 1.02207E-18
478.79127 478.92512 20880.09071 -1.31549E-18 6.55781E-19
479.10287 479.23681 20866.51087 -1.47352E-18 1.01957E-18
479.41446 479.54848 20852.94911 -8.16808E-19 7.37364E-19
479.72605 479.86015 20839.40497 -4.39793E-19 1.00667E-18
480.03764 480.17182 20825.87841 3.39393E-19 1.66932E-18
480.34923 480.4835 20812.3694 3.6192E-18 1.41562E-18
480.66082 480.79517 20798.87791 6.66425E-18 1.11572E-18
480.97242 481.10685 20785.40346 6.67843E-18 2.43582E-18
481.28401 481.41852 20771.94689 6.89753E-18 2.00397E-18
481.5956 481.7302 20758.50774 6.12017E-18 1.52676E-18
481.90719 482.04187 20745.08596 3.73367E-18 2.37484E-18
482.21878 482.35354 20731.68153 3.08541E-18 7.58176E-19
482.59255 482.72741 20715.62498 1.60103E-18 1.70449E-19
482.90339 483.03833 20702.29073 5.88335E-19 1.76901E-19
483.21422 483.34925 20688.97407 -1.76329E-19 2.45788E-19
483.52506 483.66017 20675.6741 1.49171E-18 3.63791E-19
483.83589 483.97108 20662.39164 4.35722E-18 5.84605E-19
484.14673 484.282 20649.12581 8.21988E-18 9.95639E-19
484.45756 484.59292 20635.87743 1.26848E-17 7.15095E-19
484.76839 484.90383 20622.64605 1.40336E-17 6.56822E-19
485.07923 485.21475 20609.43119 1.2841E-17 6.83669E-19
485.39006 485.52566 20596.23368 1.06003E-17 6.44959E-19
485.7009 485.83658 20583.05264 8.02034E-18 5.65874E-19
486.01173 486.1475 20569.88888 5.8407E-18 3.87517E-19
486.32256 486.45841 20556.74195 3.84402E-18 5.89392E-19
486.6334 486.76933 20543.61139 3.22149E-18 5.973E-19
486.94423 487.08024 20530.49802 2.37381E-18 3.4402E-19
487.25507 487.39117 20517.40095 2.03201E-18 4.01461E-19
487.5659 487.70208 20504.32101 1.2821E-18 2.0687E-19
487.87673 488.01299 20491.25773 6.41851E-19 3.28203E-19
488.18757 488.32391 20478.21067 7.14921E-19 3.07599E-19
488.4984 488.63483 20465.18063 5.88335E-19 2.55153E-19
488.80924 488.94575 20452.16674 2.61635E-19 3.31949E-19
489.12007 489.25666 20439.16981 8.74784E-20 2.75549E-19
489.43091 489.56758 20426.18897 2.91709E-19 3.12594E-19
489.74174 489.8785 20413.22503 4.5969E-19 2.80544E-19
490.05257 490.18941 20400.27753 4.63349E-19 2.34133E-19
490.36341 490.50033 20387.34603 7.40993E-19 2.18108E-19
490.67424 490.81124 20374.43133 2.84848E-19 2.13113E-19
490.98508 491.12217 20361.53256 3.24528E-19 2.08327E-19
491.29591 491.43308 20348.65053 2.85305E-19 2.44955E-19
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