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Deuterium enriched water Deuterium enriched water vapor Fourier Transform vapor Fourier Transform Spectroscopy: the Spectroscopy: the 8800-10800 cm 8800-10800 cm -1 -1 spectral spectral region. region. (1) L. Daumont , (1) A. Jenouvrier, (2) S. Fally, (3) C. Hermans, (2) A. C. Vandaele and (2) M. Carleer (1) Université de Reims Champagne-Ardenne, Groupe de Spectrométrie Moléculaire et Atmosphérique, Reims, France. (2) Université Libre de Bruxelles, Service de Chimie Quantique et Photophysique, Brussels (ULB-SCQP), Belgium. (3) Belgian Institute for Space Aeronomy (BIRA-IASB), Brussels, Belgium.

Deuterium enriched water vapor Fourier Transform Spectroscopy: the 8800-10800 cm -1 spectral region. (1) L. Daumont, (1) A. Jenouvrier, (2) S. Fally, (3)

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  • Deuterium enriched water vapor Fourier Transform Spectroscopy: the 8800-10800 cm-1 spectral region.(1) L. Daumont, (1) A. Jenouvrier, (2)S. Fally, (3) C. Hermans, (2) A. C. Vandaele and (2) M. CarleerUniversit de Reims Champagne-Ardenne, Groupe de Spectromtrie Molculaire et Atmosphrique, Reims, France.Universit Libre de Bruxelles, Service de Chimie Quantique et Photophysique, Brussels (ULB-SCQP), Belgium.Belgian Institute for Space Aeronomy (BIRA-IASB), Brussels, Belgium.

  • Experimental setupThe 50 meter base long multipass cellBRUKER IFS 120 MspectrometerDetector: Si DiodeQuartz beamsplitter Stabilized W lampWater vapor:

  • HODD2OHITRAN 2004ICLAS + ICLAS-VeCSELFTSFTSFTSPrevious studies: Positions (and assignements)IntensitiesFTS+ ICLAS-VeCSELFTSFTS+ICLASFTSFTSFTSPresent Work

  • HITRAN 2004Band Centers (cm-1)Band integrated absorption cross sections S(296K) cm-1/(molec/cm-2)HODH217OH218OH216O

    7513 cm-1

  • Raw spectra for different H2O/HDO/D2O mixturesSpecies identification Ptot = PH2O + PHDO + PD2O - PH2O from BR list - PHDO and PD2O : (a)- Equilibrium constant (Pred: Appl. Spectrosc. 49 (10) (1995)1431-1437) (b)- Mean ratios of the measured line areas in the spectra B and C. Partial pressures Species HDOD2O Nbr of measured lines 59212462 Nbr of assignments 69432661 Nbr of unassigned lines 210 221Line parametersAssignments and partial pressures

  • 422Ka01234541441331431533321423523313413515303505Term values0 0 30 0 0Example of Ritz energy difference: from the 33 422 (cm-1)5515

    Graph1

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    Feuil1

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    281019

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  • Example of HDO subband of 1+2 3 :

    obs-calc (cm-1)1024 x S (cm molec-1)Average: 0.95

  • Contributions of the different speciesIntegrated absorption cross sectionscm-1/(molec/cm-2) (293 K)Natural H2OD2OHDO

  • D2O: the 31+3 bandPositions obs = This work and Ulenikov* Absolute intensitiesSelf-broadening coefficientsComparison between observed and calculatedMean ratio: 1.03Wavenumbers (cm-1)obs-PS (cm-1)Kmax + 0.04 Jmaxself (cm-1/atm)Wavenumbers (cm-1)* Ulenikov JMS 210, 18 (2001)

    Graph1

    0.3156025704

    0.6173438981

    0.9940772901

    0.3345419967

    1.6899348059

    0.5744949792

    1.2575144523

    1.1589537211

    1.1741479867

    1.589463963

    0.903703764

    0.9340993286

    1.5747405082

    0.9902273897

    0

    0.6995922706

    0.930469988

    1.1645416507

    0.9232278408

    1.3040720903

    1.0171254557

    0

    0

    1.2175206197

    1.337008399

    1.337008399

    0.9040412344

    1.3698260201

    0.9772410609

    0.9540824242

    1.3356559128

    1.0070359632

    0.9788927651

    1.0094721608

    0.7615533774

    0.9762932997

    1.0799405397

    1.0719681261

    1.0535633211

    1.2011113348

    1.4200752896

    1.0319597905

    1.0440949381

    0.9852773138

    0.9971392438

    1.0677260259

    0.996688709

    1.1553081549

    0.9625141981

    1.0956046814

    1.2427217985

    1.1794484588

    0.7096108457

    1.062882787

    1.5367154842

    1.0824762952

    1.0103626027

    0.9629768888

    1.1642548934

    0.7197178991

    0.9931175153

    1.5985988064

    0.9657770874

    1.0308479366

    1.0209925406

    0.9759606042

    1.1203402804

    1.037368153

    0.9993653193

    1.0374011153

    1.0318390474

    0.8169359858

    1.3042634695

    0.7294781421

    0.9970719252

    1.0033776041

    1.0211490738

    0.9420423002

    1.1854446711

    0.9089221033

    0.8734241793

    0.9538195193

    0.8544761182

    1.0626944772

    1.0040937226

    0.8133993331

    1.0869676001

    0.8836601542

    0.8633626088

    1.0175224337

    0.9493479497

    3.0986475169

    1.0622620879

    1.3151193806

    0.9850678477

    0.8049518113

    0.9933955696

    0.7359405948

    1.1227174688

    0.6710716584

    1.1290952286

    0.7030233169

    0.6997348165

    1.025032832

    1.0751448989

    2.9273132326

    1.0646119878

    0.9629887723

    1.0160521308

    0.8070984552

    0.8908902058

    0.5223408929

    0.9588723148

    1.0598737407

    0.9059936423

    1.0679614152

    0.6586648923

    1.0126375106

    0.9936538807

    1.000389358

    0.950567147

    1.4147505322

    1.0164667005

    0.9866909913

    0.9326457505

    2.1171492866

    1.5285287975

    0.655553587

    0.9858820675

    1.9192225687

    1.0016679867

    0.824460634

    1.260914227

    1.0812192226

    0.8818608367

    1.5153703315

    1.0080110641

    1.2949976012

    0.9468428938

    0.9232927236

    1.5671429107

    1.2305075868

    1.0268717333

    0.8646602333

    0.9519232606

    1.014130149

    0.9902509408

    1.2915259146

    0.9026278352

    0.9900915991

    1.0269577289

    1.0525482343

    0.8359247608

    1.0178778366

    0.9872375302

    1.0799967344

    1.2606854168

    0.9935454088

    0.9919427325

    1.052080992

    0.9697087304

    1.0095562808

    1.1768320819

    0.9006027501

    0.9803266792

    0.9724651875

    1.1481336056

    1.1568073571

    1.1410759198

    0.6761268648

    1.018759926

    1.3575146052

    1.0157296083

    1.0028959823

    1.2002991114

    1.0207765803

    0.9942267365

    1.2675683573

    1.0376548106

    0.7234561056

    0.8666359282

    1.0510443833

    0.9795988169

    0.9526557909

    1.3525830316

    1.0364012432

    1.0361543769

    1.1010236204

    1.1014501593

    1.0454205196

    0.9986625678

    1.0296715941

    1.0368668962

    1.2538583799

    0.888426614

    0.9394826699

    0.9820857241

    0.9342943346

    0.9607383169

    0.5848954434

    0.997349899

    0.8194463732

    1.157051985

    0.7449001538

    0.6884790313

    1.308804205

    0.5857497476

    1.0919503913

    1.095426983

    0.9827414025

    0.9707864171

    0.9353167796

    1.0195336463

    0.9707450257

    1.09909182

    1.0354320324

    0

    0.9352897484

    1.0261617953

    1.0508235865

    0.9404568439

    0.8502853787

    0.9125645883

    1.0536650131

    1.0517483283

    1.0323385341

    0.8324737975

    0.8785088046

    1.1699216794

    0.98592119

    1.0070689083

    1.1357084972

    0.9724365596

    0.9675159942

    1.1616818174

    0.9340930023

    0.9385363223

    0.6858820649

    1.2614869226

    0.9219036945

    1.0227059509

    0.955599803

    1.1927644864

    0.9292195474

    1.0720050013

    0.9925163283

    1.1330298709

    0.9881565315

    1.2279135294

    0.400672256

    1.0521811942

    0

    1.0016366003

    1.0638360108

    1.0392703843

    1.070523165

    1.0937419165

    0.8768304074

    1.1144032235

    0

    1.2866180265

    0.9538793968

    0.6080824567

    1.0298769382

    0.6629659756

    0.9452222439

    0

    1.6709528279

    0.8846008324

    0.9562974196

    0.6846674563

    0.6999685836

    0.9818949713

    1.034993597

    1.4153715701

    0.9841020329

    0.256304018

    0.6684387579

    1.0173092363

    Graph2

    0.3156025704

    0.6173438981

    0.9940772901

    0.3345419967

    10154.7604495418

    1.6899348059

    0.5744949792

    1.2575144523

    1.1589537211

    1.1741479867

    1.589463963

    0.903703764

    0.9340993286

    1.5747405082

    0.9902273897

    10187.4941329532

    10187.5568228881

    0.6995922706

    0.930469988

    1.1645416507

    0.9232278408

    1.3040720903

    1.0171254557

    10202.0753611902

    10202.7894864774

    10202.9173531026

    1.2175206197

    1.337008399

    1.337008399

    0.9040412344

    1.3698260201

    0.9772410609

    0.9540824242

    10212.3739754586

    1.3356559128

    1.0070359632

    10217.352382125

    0.9788927651

    1.0094721608

    0.7615533774

    0.9762932997

    1.0799405397

    1.0719681261

    1.0535633211

    1.2011113348

    1.4200752896

    1.0319597905

    1.0440949381

    0.9852773138

    10232.1959065766

    0.9971392438

    1.0677260259

    0.996688709

    1.1553081549

    0.9625141981

    1.0956046814

    1.2427217985

    1.1794484588

    0.7096108457

    1.062882787

    1.5367154842

    1.0824762952

    1.0103626027

    0.9629768888

    1.1642548934

    0.7197178991

    0.9931175153

    10253.7160650002

    1.5985988064

    0.9657770874

    1.0308479366

    1.0209925406

    0.9759606042

    10260.9016098175

    1.1203402804

    1.037368153

    0.9993653193

    1.0374011153

    1.0318390474

    0.8169359858

    1.3042634695

    0.7294781421

    0.9970719252

    1.0033776041

    1.0211490738

    0.9420423002

    1.1854446711

    0.9089221033

    0.8734241793

    0.9538195193

    0.8544761182

    1.0626944772

    1.0040937226

    0.8133993331

    1.0869676001

    0.8836601542

    0.8633626088

    1.0175224337

    0.9493479497

    3.0986475169

    1.0622620879

    1.3151193806

    10289.6565420144

    0.9850678477

    0.8049518113

    0.9933955696

    0.7359405948

    1.1227174688

    0.6710716584

    1.1290952286

    0.7030233169

    0.6997348165

    1.025032832

    1.0751448989

    2.9273132326

    1.0646119878

    0.9629887723

    1.0160521308

    0.8070984552

    0.8908902058

    0.5223408929

    0.9588723148

    1.0598737407

    0.9059936423

    10303.1085914708

    1.0679614152

    0.6586648923

    10306.2587720518

    1.0126375106

    0.9936538807

    1.000389358

    0.950567147

    1.4147505322

    1.0164667005

    0.9866909913

    0.9326457505

    2.1171492866

    1.5285287975

    0.655553587

    0.9858820675

    10315.7202016681

    1.9192225687

    1.0016679867

    0.824460634

    1.260914227

    1.0812192226

    0.8818608367

    1.5153703315

    1.0080110641

    1.2949976012

    0.9468428938

    0.9232927236

    1.5671429107

    1.2305075868

    1.0268717333

    0.8646602333

    0.9519232606

    10327.7724063113

    1.014130149

    10328.2523132443

    0.9902509408

    1.2915259146

    0.9026278352

    0.9900915991

    1.0269577289

    1.0525482343

    0.8359247608

    1.0178778366

    0.9872375302

    1.0799967344

    10338.2742774673

    1.2606854168

    10339.644154716

    0.9935454088

    0.9919427325

    1.052080992

    0.9697087304

    1.0095562808

    1.1768320819

    0.9006027501

    0.9803266792

    0.9724651875

    1.1481336056

    1.1568073571

    1.1410759198

    0.6761268648

    1.018759926

    1.3575146052

    1.0157296083

    1.0028959823

    1.2002991114

    1.0207765803

    0.9942267365

    1.2675683573

    1.0376548106

    0.7234561056

    0.8666359282

    1.0510443833

    0.9795988169

    0.9526557909

    1.3525830316

    1.0364012432

    1.0361543769

    1.1010236204

    1.1014501593

    1.0454205196

    0.9986625678

    1.0296715941

    1.0368668962

    1.2538583799

    0.888426614

    0.9394826699

    0.9820857241

    0.9342943346

    0.9607383169

    0.5848954434

    0.997349899

    0.8194463732

    1.157051985

    0.7449001538

    0.6884790313

    1.308804205

    0.5857497476

    1.0919503913

    1.095426983

    0.9827414025

    0.9707864171

    0.9353167796

    1.0195336463

    0.9707450257

    1.09909182

    10404.1773453279

    1.0354320324

    10405.1249919678

    0.9352897484

    1.0261617953

    10405.8888866621

    1.0508235865

    0.9404568439

    0.8502853787

    0.9125645883

    1.0536650131

    1.0517483283

    1.0323385341

    0.8324737975

    0.8785088046

    1.1699216794

    0.98592119

    1.0070689083

    1.1357084972

    0.9724365596

    0.9675159942

    1.1616818174

    0.9340930023

    0.9385363223

    0.6858820649

    1.2614869226

    0.9219036945

    10420.9151625572

    1.0227059509

    0.955599803

    1.1927644864

    0.9292195474

    1.0720050013

    0.9925163283

    1.1330298709

    0.9881565315

    1.2279135294

    0.400672256

    10426.0089729219

    1.0521811942

    10427.4713364698

    1.0016366003

    1.0638360108

    1.0392703843

    1.070523165

    1.0937419165

    0.8768304074

    1.1144032235

    10433.578793656

    1.2866180265

    0.9538793968

    0.6080824567

    1.0298769382

    10434.2126502809

    0.6629659756

    0.9452222439

    10437.5778582247

    10437.5778582247

    1.6709528279

    0.8846008324

    0.9562974196

    0.6846674563

    0.6999685836

    10440.5649948547

    0.9818949713

    1.034993597

    1.4153715701

    10445.7176376461

    0.9841020329

    0.256304018

    0.6684387579

    1.0173092363

    Mean ratio I obs/I calc = 1.033

    301 Band

    Graph2 (2)

    0.3156025704

    0.6173438981

    0.9940772901

    0.3345419967

    10154.7604495418

    1.6899348059

    0.5744949792

    1.2575144523

    1.1589537211

    1.1741479867

    1.589463963

    0.903703764

    0.9340993286

    1.5747405082

    0.9902273897

    10187.4941329532

    10187.5568228881

    0.6995922706

    0.930469988

    1.1645416507

    0.9232278408

    1.3040720903

    1.0171254557

    10202.0753611902

    10202.7894864774

    10202.9173531026

    1.2175206197

    1.337008399

    1.337008399

    0.9040412344

    1.3698260201

    0.9772410609

    0.9540824242

    10212.3739754586

    1.3356559128

    1.0070359632

    10217.352382125

    0.9788927651

    1.0094721608

    0.7615533774

    0.9762932997

    1.0799405397

    1.0719681261

    1.0535633211

    1.2011113348

    1.4200752896

    1.0319597905

    1.0440949381

    0.9852773138

    10232.1959065766

    0.9971392438

    1.0677260259

    0.996688709

    1.1553081549

    0.9625141981

    1.0956046814

    1.2427217985

    1.1794484588

    0.7096108457

    1.062882787

    1.5367154842

    1.0824762952

    1.0103626027

    0.9629768888

    1.1642548934

    0.7197178991

    0.9931175153

    10253.7160650002

    1.5985988064

    0.9657770874

    1.0308479366

    1.0209925406

    0.9759606042

    10260.9016098175

    1.1203402804

    1.037368153

    0.9993653193

    1.0374011153

    1.0318390474

    0.8169359858

    1.3042634695

    0.7294781421

    0.9970719252

    1.0033776041

    1.0211490738

    0.9420423002

    1.1854446711

    0.9089221033

    0.8734241793

    0.9538195193

    0.8544761182

    1.0626944772

    1.0040937226

    0.8133993331

    1.0869676001

    0.8836601542

    0.8633626088

    1.0175224337

    0.9493479497

    3.0986475169

    1.0622620879

    1.3151193806

    10289.6565420144

    0.9850678477

    0.8049518113

    0.9933955696

    0.7359405948

    1.1227174688

    0.6710716584

    1.1290952286

    0.7030233169

    0.6997348165

    1.025032832

    1.0751448989

    2.9273132326

    1.0646119878

    0.9629887723

    1.0160521308

    0.8070984552

    0.8908902058

    0.5223408929

    0.9588723148

    1.0598737407

    0.9059936423

    10303.1085914708

    1.0679614152

    0.6586648923

    10306.2587720518

    1.0126375106

    0.9936538807

    1.000389358

    0.950567147

    1.4147505322

    1.0164667005

    0.9866909913

    0.9326457505

    2.1171492866

    1.5285287975

    0.655553587

    0.9858820675

    10315.7202016681

    1.9192225687

    1.0016679867

    0.824460634

    1.260914227

    1.0812192226

    0.8818608367

    1.5153703315

    1.0080110641

    1.2949976012

    0.9468428938

    0.9232927236

    1.5671429107

    1.2305075868

    1.0268717333

    0.8646602333

    0.9519232606

    10327.7724063113

    1.014130149

    10328.2523132443

    0.9902509408

    1.2915259146

    0.9026278352

    0.9900915991

    1.0269577289

    1.0525482343

    0.8359247608

    1.0178778366

    0.9872375302

    1.0799967344

    10338.2742774673

    1.2606854168

    10339.644154716

    0.9935454088

    0.9919427325

    1.052080992

    0.9697087304

    1.0095562808

    1.1768320819

    0.9006027501

    0.9803266792

    0.9724651875

    1.1481336056

    1.1568073571

    1.1410759198

    0.6761268648

    1.018759926

    1.3575146052

    1.0157296083

    1.0028959823

    1.2002991114

    1.0207765803

    0.9942267365

    1.2675683573

    1.0376548106

    0.7234561056

    0.8666359282

    1.0510443833

    0.9795988169

    0.9526557909

    1.3525830316

    1.0364012432

    1.0361543769

    1.1010236204

    1.1014501593

    1.0454205196

    0.9986625678

    1.0296715941

    1.0368668962

    1.2538583799

    0.888426614

    0.9394826699

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    Wavenumber (cm-1)

    Dn (obs-calc) (cm-1)

    Graph4 (2)

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    Feuil1

    PSE"v'v"JmKmKm+0.04JmTVNobs-NcalcIobs/IcalcIobs/IcalcI24/I27CorH2OCorHDOUlenikov

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