Weakly Interacting Molecular Pairs: Unconventional Absorbers of Radiation in the AtmosphereClaude Camy-Peyret, Andrei A. Vigasin The Advanced Research Workshop entitled “Weakly Interacting Molecular Pairs: Unconventional Absorbers of Radiation in the At- sphere” was held in Abbaye de Fontevraud, France, from April 29 to May 3, 2002. The meeting involved 40 researchers from 14 countries. The goal of this meeting was to address a problem that the scienti?c community is aware of for many years. Up now, however, the so- tion for this problem is far from satisfactory. Pair e?ects are called unconventional in the title of this meeting. In speci?c spectral domains and/or geophysical conditions they are recognized to play a dominant role in the absorption/emission properties of the atmosphere. Water vapor continuum absorption is among the most prominent examples. Permanently improving accuracy of both laboratory studies and ?eld observations requires better knowledge of the spectroscopic features - tributable to molecular pairs which may form at equilibrium. The Workshop was targeted both to clarify the pending questions and, as far as feasible, to trace the path to possible answers since the underlying phenomena are yet incompletely understood and since a reliable theory is often not available. On the other hand, the lack of precise laboratory data on bimolecular absorption is often precluding the construction of reliable theoretical models. Ideally, the knowledge accumulated in the course of laboratory studies should correlate with the practical demands from those who are carrying out atmospheric ?eld measurements and space observations. |
Contents
SPECTRA OF TWO AND THREEBODY VAN DER WAALS COMPLEXES | 3 |
2 Supramolecular properties | 4 |
3 Supramolecular spectra | 8 |
BIMOLECULAR ABSORPTION IN ATMOSPHERIC GASES | 23 |
2 Statistical mechanics of interacting molecules | 26 |
3 How bimolecular states show up in absorption | 34 |
4 Conclusions | 44 |
TRAJECTORY STUDY OF C0₂Ar AND C0₂He COLLISION COMPLEXES | 49 |
POTENTIAL ENERGY SURFACES FOR CLUSTERS AND QUANTUM MECHANICAL PREDICTION OF SPECTRAL FEATURES | 169 |
1 Introduction | 170 |
bound states and spectral features | 175 |
simple hydrocarbons and water | 177 |
COLLISIONINDUCED ABSORPTION OF GASEOUS OXYGEN IN THE HERZBERG CONTINUUM | 183 |
2 Experiment | 184 |
3 Analysis of the experimental data | 185 |
4 Discussion | 188 |
2 Classical trajectory equations for atomdiatom collision | 50 |
3 Intermolecular interaction potential | 53 |
5 Results of simulation | 54 |
6 Conclusions | 61 |
THEORETICAL STUDY OF INTERACTION POTENTIAL AND PRESSURE BROADENING OF SPECTRAL LINES FOR THE HeCH₃F COMPLEX | 65 |
VARIATIONAL SOLUTION OF ANHARMONIC VIBRATIONAL PROBLEMS FOR POLYATOMICS AND MOLECULAR PAIRS | 73 |
2 Case study of the carbon dioxide complexes | 77 |
INTERFERENCE EFFECTS IN THE INFRARED SPECTRUM OF HD | 83 |
2 Interference | 84 |
4 Collisional propagation | 86 |
5 Calculations | 88 |
6 Dipole moment components | 89 |
7 Planetary atmospheres | 90 |
8 Summary and needs for future | 91 |
COLLISIONINDUCED ABSORPTION IN DIPOLAR MOLECULEHOMONUCLEAR DIATOMIC PAIRS | 93 |
2 Theory | 94 |
3 Results and discussion | 95 |
4 Conclusions | 97 |
THE H₂On H₂ON₂ AND H₂OO₂ CASES | 101 |
2 Simple dimerization case | 102 |
3 Clusters of any dimension | 103 |
4 H₂ON₂ and H₂OO₂ heterodimers | 105 |
EQUILIBRIUM CONSTANTS FOR THE FORMATION OF WEAKLY BOUND DIMERS | 111 |
2 General outline | 113 |
3 Diatomic dimers | 114 |
4 Quantum corrections | 120 |
5 Polyatomic dimers | 121 |
6 Conclusions | 122 |
COLLISION INDUCED FAR WINGS OF CO₂ AND H₂O BANDS IN IR SPECTRA | 125 |
2 Band profile studies | 126 |
3 Far wing approximation | 127 |
4 Impact approximation | 130 |
5 H₂O band wings | 133 |
6 Conclusions | 135 |
APPLICATION TO THE WATER CONTINUUM | 137 |
2 Results | 140 |
LABORATORY STUDIES | 147 |
IN THE CO₂ FERMI TRIAD FOR TEMPERATURES FROM 211K TO 296K | 149 |
2 Experimental | 150 |
3 Data processing and results | 151 |
4 Conclusions | 156 |
LABORATORY STUDIES OF OXYGEN CONTINUUM ABSORPTION | 159 |
ABSORPTION CROSSSECTION OF THE COLLISIONINDUCED BANDS OF OXYGEN FROM THE UV TO THE NIR | 193 |
1 Introduction | 194 |
3 Results | 196 |
4 Impact on atmospheric retrievals | 200 |
CAVITY RINGDOWN SPECTROSCOPY OF O₂O₂ COLLISIONAL INDUCED ABSORPTION | 203 |
2 Principles of Cavity RingDown Spectroscopy | 204 |
3 Measurements on small samples | 206 |
4 CRD measurements of oxygen collisional complexes | 207 |
LABORATORY FOURIER TRANSFORM SPECTROSCOPY OF THE WATER ABSORPTION CONTINUUM FROM 2500 TO 22500 cm¹ | 213 |
1 Introduction | 214 |
3 Results and discussion | 216 |
4 Conclusion | 219 |
INFRARED SPECTRA OF WEAKLYBOUND COMPLEXES AND COLLISIONINDUCED EFFECTS INVOLVING ATMOSPHERIC MOLECULES | 223 |
2 Links between weaklybound dimers and normal spectra | 224 |
3 A family of atmospheric van der Waals molecules N₂₂ N₂CO and CO₂ | 228 |
4 The water dimer a spectroscopic challenge | 230 |
THE FARINFRARED CONTINUUM IN THE SPECTRUM OF WATER VAPOR | 233 |
2 Experimental considerations | 234 |
3 Continuum analysis | 235 |
RESONATOR SPECTROSCOPY AS A NEW METHOD OF INVESTIGATION OF UNCONVENTIONAL MILLIMETERWAVE ATMOSPHERIC A... | 239 |
2 A principle of the wide range microwave resonator spectroscopy | 240 |
3 Experimental setup | 241 |
4 Procedure and results of the measurements | 243 |
5 Conclusion | 245 |
ATMOSPHERIC APPLICATIONS | 247 |
LOOKUP TABLE AND INTERPOLATION METHODS FOR RADIATIVE TRANSFER CALCULATIONS IN THE INFRARED APPLICATION TO ... | 249 |
1 Introduction | 250 |
3 Comparison of Lookup tables interpolation and Linebyline calculations | 253 |
4 Calculation time | 254 |
5 Application of wide spectral region analysis | 257 |
THE IMPACT OF NEW WATER VAPOR SPECTROSCOPY ON SATELLITE RETRIEVALS | 259 |
1 Introduction | 260 |
2 The atmosphere as laboratory | 261 |
4 Results of simulations | 264 |
5 New laboratory measurements of the water vapor continuum | 267 |
6 Conclusions | 269 |
SPECTROSCOPIC AND THERMOCHEMICAL INFORMATION ON THE O₂O₂ COLLISIONAL COMPLEX INFERRED FROM ATMOSPHERI... | 273 |
1 Introduction | 274 |
2 Observations | 275 |
3 Discussion and conclusion | 279 |
| 285 | |
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Common terms and phrases
04 absorption 2003 Kluwer Academic A.A. Vigasin eds Absorbers of Radiation absorption bands absorption coefficient absorption spectra approximation Aquilanti atmospheric atoms Borysow calculations Camy-Peyret and A.A. cavity Chem cm-¹ cm¹ collision-induced absorption collisional complexes components computational continuum absorption contribution cross sections database density diatomic effects equilibrium constant Figure Fourier transform spectroscopy frequency Frommhold fundamental band gases HITRAN induced absorption infrared infrared spectrum initio intensity Interacting Molecular Pairs intermolecular potential laboratory line shapes line-mixing Look-up tables low temperature matrix McKellar measurements metastable molecules monomers oxygen parameters partition function Phys potential energy surface pressure broadening quantum resonator retrieval rotational Slanina spec spectral lines spectral region Spectrosc spectroscopy structure supramolecular temperature dependence theoretical theory tion transitions true bound Unconventional Absorbers values vibrational virial coefficients Waals water dimer water vapor water vapor continuum Wavenumber Weakly Interacting Molecular wing