Water Vapour Line Parameters from Microwave to Medium Infrared. An Atlas of H216O, H217O and H218O Line Positions and Intensities between 0 and 4350 cm-1

270 Pages·1981·4.736 MB·English

by  J.M. Flaud, C. Camy-Peyret and R. A. Toth (Auth.)

TABLES INTERNATIONALES DE CONSTANTES SELECTIONNEES
INTERNATIONAL TABLES OF SELECTED CONSTANTS
Série Constantes sélectionnées - Ed.: Pergamon Press
8 - OXIDATION REDUCTION POTENTIALS
POTENTIELS D'OXYDO-REDUCTION - 1958
(G. Chariot, D. Bézier et J. Courtot)
9 - OPTICAL ROTATORY POWER II: TRITERPENOIDS
POUVOIR ROTATOIRE NATUREL. II - TRITERPENOIDES - 1958
(J.P. Mathieu et G. Ourisson. Préface: L. Ruzicka)
10 - OPTICAL ROTATORY POWER III: AMINO ACIDS
POUVOIR ROTATOIRE NATUREL. III - AMINO-ACIDES - 1959
(J.P. Mathieu, P. Desnuelle et J. Roche. Préface: J.T. Edsall)
11 - OPTICAL ROTATORY POWER IV: ALKALOIDS
POUVOIR ROTATOIRE NATUREL. IV - ALCALOÏDES - 1959
(J.P. Mathieu et M.M. JANOT. Préface: Sir R. Robinson)
12 - CONSTANTS RELATIVE TO SEMI-CONDUCTORS
CONSTANTES RELATIVES AUX SEMI-CONDUCTEURS - 1961
(P. Aigrain et M. Balkanski. Préface: H. Welker)
13 - RADIOLYTIC YIELDS
RENDEMENTS RADIOLYTIQUES - 1963
(M. Haïssinsky et M. Magat. Préface: H. Fricke)
14 - OPTICAL ROTATORY POWER, la: STEROIDS
•POUVOIR ROTATOIRE NATUREL, la: STEROIDES - 1965
(J. Jacques, H. Kagan. G. Ourisson et S. Allard. Préface: W. Klyne)
15 - DATA RELATIVE TO SESQUITERPENOIDS
DONNEES RELATIVES AUX SESQUITERPENOIDES - 1966
(G. Ourisson, S. Munavalli et C. Ehret. Préface: F. Sorm)
16 - METALS: THERMAL AND MECHANICAL DATA
METAUX: DONNEES THERMIQUES ET MECANIQUES - 1969
(Préparé sous la direction de S. Allard. Préface: P. Aigrain)
17 - SPECTROSCOPIC DATA RELATIVE TO DIATOMIC MOLECULES
DONNEES SPECTROSCOPIQUES RELATIVES AUX MOLECULES DIATOMIQUES - 1970
(Préparé sous la direction de B. Rosen)
18 - WAVELENGTHS OF X-RAY EMISSION LINES AND ABSORPTION EDGES
LONGUEURS D'ONDE DES EMISSIONS X ET DES DISCONTINUITES D'ABSORPTION X - 1978
(Y. Cauchois et C. Senemaud)
Série Bibliographies - Ed. Editions du CNRS
DIATOMIC MOLECULES - A CRITICAL BIBLIOGRAPHY OF SPECTROSCOPIC DATA
MOLECULES DIATOMIQUES - BIBLIOGRAPHIE CRITIQUE DE DONNEES SPECTROSCOPIQUES
(Préparé sous la direction de R.F. Barrow)
Tome I - 1973
Tome II - 1975
Tome III - 1979
T A B L ES
DE C O N S T A N T ES ET D O N N É ES N U M É R I Q U ES
Fondées par CHARLES MARIE (1909)
T A B L ES
OF C O N S T A N TS A ND N U M E R I C AL D A TA
Founded by CHARLES MARIE (1909)
Rédacteur en Chef: SIMONE BOURCIER
ASSOCIATION POUR LE DÉVELOPPEMENT DES TABLES DE CONSTANTES ET DONNÉES NUMÉRIQUES
Membres du Conseil d'Administration:
C. HAENNY (Membre d'Honneur); G. AMAT (Prιsident); F. TROMBE (Trιsorier);
P. KHODADAD (Secrιtaire); S. ALLARD (Mme); P. AIGRAIN; M. FAYARD; J. M. FLAUD;
M. GAY; J. GIVAUDON; J. JACQUES; F. PERRIN; M. ROTHEN; R. WURMSER; J. WYART.
I N T E R N A T I O N AL T A B L ES
OF S E L E C T ED C O N S T A N TS
19
WATER VAPOUR LINE PARAMETERS
FROM MICROWAVE
TO MEDIUM INFRARED
(AN ATLAS OF H 16Ï, H1?0 AND H 180
2 2 2
LINE POSITIONS AND INTENSITIES
BETWEEN 0 AND 4350 cm-i)
BY
J.-M. F L A U D, C. C A MY - P E Y R ET
Laboratoire de Physique moléculaire et
d'Optique atmosphérique, CNRS, Orsay, France
AND
R. A. T O TH
Jet Propulsion Laboratory, Pasadena, Ca, USA
Preface by
J. Í. HOWARD
P E R G A M ON P R E SS
OXFORD · NEW YORK · TORONTO · SYDNEY · PARIS · FRANKFURT
1981
PUBLICATION SUBSIDISED BY:
The French CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE
and BELGIAN and SWISS Governments
T A B L ES I N T E R N A T I O N A L ES
DE C O N S T A N T ES S E L E C T I O N N E ES
19
PARAMETRES DES RAIES DE LA
VAPEUR D'EAU DES MICRO-ONDES
A L'INFRAROUGE MOYEN
(ATLAS DES POSITIONS ET INTENSITES DES RAIES DE
H !60, H 170 ET H ISO
2 2 2
ENTRE 0 ET 4350 cm-i)
PAR
J.-M. FLAUD, C. C A MY - PEYRET
Laboratoire de Physique moléculaire et
d' Optique atmosphérique, CNRS, Orsay, France
ET
R. A. T O TH
Jet Propulsion Laboratory, Pasadena, Ca, USA
Prιface de
J. N. HOWARD
P E R G A M ON P R E SS
OXFORD · NEW YORK · TORONTO · SYDNEY · PARIS · FRANKFURT
1981
PUBLICATION SUBVENTIONNEE PAR:
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Copyright © 1981 Comité des Tables de Constantes
All Rights Reserved. No part of this publication may be
reproduced, stored in a retrieval system or transmitted in
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First edition 1981
British Library Cataloguing in Publication Data
Flaud, J. M.
Water vapour line parameters from microwave to
medium infrared - (International tables of selected
constraints; 19)
1. Water
2. Spectrum analysis - Tables
I. Title II. Camy-Peyret, C.
III. Toth, R.A. IV. Series
546'.22 QD169.W3
ISBN 0-08-026181-7
Library of Congress Catalog Card no.: 81-82525
Rédaction et Secrétariat: Editors' and Secretary's offices:
TABLES DE CONSTANTES
Université Pierre et Marie Curie (Paris VI), Tour 13
4, Place Jussieu, 75230 Paris Cedex 05, France
In order to make this volume available as economically
and as rapidly as possible the authors' typescripts have
been reproduced in their original forms. This method un-
fortunately has its typographical limitations but it is
hoped that they in no way distract the reader.
Printed in Great Britain by A. Wheaton & Co. Ltd., Exeter
To the m e m o ry of W . S . B E N E D I CT
William S. B E N E D I CT
190 9 - 19 8 0
The authors have dedicated this volume to the memory of William S. Benedict, who died
suddenly and unexpectedly on 10 January 1980 at the age of 70. Perhaps not entirely unex-
pectedly, as anyone who reaches 70 has already lived his biblical three score and ten, and
he had had a very serious heart attack just two or three years earlier and had been told to
slow down somewhat: but engaging in infrared spectroscopic theory is not generally conside-
red a particularly strenuous or hazardous occupation. Indeed, many of the greats in infra-
red spectroscopy had lived well into their eighties and nineties: Prof. Jean Lecomte in
France, Clemens Schaefer and Marianus Czerny in Germany, W.W. Coblentz and Harrison M.
Randall in the U.S.. We had all hoped and expected that Bill Benedict would still be acti-
vely with us for another twenty of thirty years.
William Sidney Benedict was born in Lake Linden, Michigan in 1909. He was born on the
4th of July, the American Independence Day. (His father had been born in 1876, the centen-
nial of the American Declaration of Independence, and his parents had named him Centennial
Harry Benedict. The elder Benedict was affectionately called "Uncle Cen", and had lived
well into his nineties. In fact, as he almost reached 1976 he jovially speculated that
perhaps in 1976 he could sire a son who could then be called Bicentennial Benedict). Bill
Benedict earned a Bachelor of Arts degree in 1928 and a Master of Arts degree in 1929 from
Cornell University and completed his PhD in 1933 at Massachusetts Institute of Technology.
His doctoral dissertation was on the structure of nitrogen dioxide, and was the basis of
a landmark paper (by L. Harris, W.S. Benedict and G.W. King). After graduation from M.I.T.
he became a research fellow at Princeton University, 1933-1935 and then a research chemist
with the General Chemical Company in New York, before moving to the Washington, U.C., area
in 1942. In this time period he continued to investigate the molecular structure of small
molecules: ozone in 1933, NH in 1934, C D in 1935, CH^ and ethane in 1935 and 1936. His
3 6 6
first paper on the infrared spectrum of H 0 appeared in 1935.
2
From 1942 to 1946 he was a theoretical spectroscopist on the staff of the Carnegie
Institution in Washington, and from 1946 to 1952 he was affiliated with the National
Bureau of Standards, following which he joined the infrared group at Johns Hopkins Univer-
sity. After fifteen years at the Johns Hopkins University he became a research professor
at the Institute for Physical Science and Technology at the University of Maryland in 1967.
Upon retirement in 1979 he was named professor emeritus. At all of these places Bill
Benedict continued his deep interest in the identification of the molecular spectra of
simple molecules, in particular H 0, C0 , 0 and the oxides of nitrogen. The post world
2 2 3
war period was particularly exciting at NBS and JHU, as new, more sensitive infrared detec-
tors (such as PbS, PbTe and InSb), improved gratings, and interferometric techniques in
the hands of such superb experimentalists as E.K. Plyler, W.W. Coblentz, Curtis Humphreys,
and John Strong and his students generated an abundant flow of improved spectra of such
simple molecules as H 0 and C0 , and there was Bill Benedict, right on the spot, ready to
2 2
identify and classify the spectral lines. Every summer there also occured the June Mole-
cular Spectroscopy Symposium at Ohio State University, and every professor and graduate
student with a new or improved spectrum of atmospheric molecules turned to Benedict as the
final arbiter for the identification of puzzling details.
When we use the term "spectra of simple molecules" we do not mean to imply that this
subject is in any way easy or undemanding: we know several learned spectroscopists who have
spent their entire lives studying the simplest diatomic molecules, and G. Herzberg devoted
a large scholarly volume to the physics and spectroscopy of Diatomic Molecules. Only the
very simplest of the polyatomic molecules have so far yielded to the application of spec-
troscopic theory. Fortunately for living beings, the earth's atmosphere consists primarily
of nitrogen and oxygen, both of which are diatomic molecules (at least in the lower atmos-
phere) and largely transparent to the incoming radiation from the sun. The complications
in the transmission of the earth's atmosphere in the infrared portion of the spectrum are
almost entirely due to a small fraction of naturally occuring trace gases that are simple
polyatomic molecules: water vapor (H 0), carbon dioxide (CO2), ozone (0 ), methane (CH4),
2 3
CO, and several oxides of nitrogen. It is the "greenhouse effect" of these simple molecules
that maintains the earth at a habitable temperature for life as we know it. In addition,
the commonest pollutants in the atmosphere are also simple molecules: S0 , H S, NH and
2 2 3
other compounds of oxygen, hydrogen, nitrogen, carbon and sulfur. The theory of the infra-
red spectra of even the simplest and most straightforward of these molecules - say C0 and
2
H 0 - is still only imperfectly known; but the understanding of the spectral behavior of
2
these trace gases is of major importance to studies of radiative transfer, remote sensing
and the meteorology of the earth's atmosphere and also to the probing of the atmospheres
of other planets and the interstellar medium; and Bill Benedict was the leading expert of
the theory of such spectra. His knowledge of the infrared spectra of H 0 and other simple
2
molecules and their isotopic variants was most remarkable: when presented a new spectrum
with some previously unidentified feature (such as a newly resolved bump on the side of a
previously known line), he would ponder for a while (sometimes with the aid of a small
card of energy levels and intensities that he kept in his wallet) and then pronounce "that
cannot be water vapor". He was genuinely fascinated and excited by a new and challenging
spectrum, and his tentative identifications generally turned out to be correct. We suspect
that he rather enjoyed creating the impression that his recognition of a spectral feature
was easy and intuitive for him: those who worked near him however knew that he labored
long and hard on his analyses of spectra. Bill Benedict and his intuitive feeling for
spectra could be very disconcerting to struggling young students who had themselves not
yet developed that confident intuitive feeling for analysis of spectra. This writer remem-
bers vividly Bill Benedict walking into a laboratory at Ohio State University, one summer
day in the early 1950's, and looking at a new spectrum of the Vi band of ozone (at
- 1
1110 cm ) that had just been analyzed by a graduate student, who had labored for several
months at the task of assigning transitions and calculating molecular constants. "Too bad",
said Benedict after a short examination of the spectrum, "he has picked the wrong Ç-branch
as center of the band: he is off by one; the center is over here" ! (and, of course, in-
deed it was ! ). But even though serendipity such as this could sometimes be disconcerting,
Benedict much more often was completely generous and helpful in identifying and classifying
unknown spectral features. The solar atlases produced by John Shaw and colleagues at Ohio
State University; the high resolution solar spectra measured by Marcel Migeotte and collea-
gues at the Institute of Astrophysics of Liege, or by Gilbert Amat and colleagues at Paris;
or the magnificent spectra of the Venus atmosphere mapped by Fourier spectroscopic techni-
ques by Pierre and Janine Connes: all of these efforts had in common the generous help of
Bill Benedict in analyzing and identifying spectral features due to H 0, C0 , 0 , oxides of
2 2 3
nitrogen and other simple molecules.
Bill Benedict enjoyed his work; we suspect that he also enjoyed creating the impres-
sion that these identifications were easy and intuitive when in fact they surely involved
many hours of analysis and hard work. He gave unstintingly of his knowledge, but he was
curiously humble and modest in taking credit for his contributions: all of these groups
tried to persuade him to be shown as a co-author for his technical help, but he almost
always refused, and seemed content with a simple acknowledgement in the fine print of the
paper for his very important help. Most of us who knew him regret that in all his years of
analyzing spectra he never really wrote down or published his essential techniques of ana-
lysis, nor did he train any school of disciples or students to carry on his methods after
he departed. Who knows - perhaps after all his understanding of infrared spectra was indeed
intuitive !
John Í. HOWARD
(Editor of Applied Optics)
R E M E R C I E M E N TS
Depuis le début, ce travail a bénéficié des
encouragements et des conseils de G. AMAT et
nous l'en remercions tout particulièrement. Que
G. GUELACHVILI et J.P. MAILLARD trouvent ici
l'expression de notre reconnaissance pour les
nombreux spectres à haute résolution enregistrés
par spectrométrie de Fourier qu'ils nous ont
fournis.
A C K N O W L E D G E M E N TS
Since the beginning, this work has strongly
benefitted by the support and the advices of
G. AMAT and we are deeply grateful to him. Our
sincere thanks are also due to G. GUELACHVILI
and J.P. MAILLARD who have provided us with many
high resolution Fourier transform spectra.
FORE WORD
This Atlas provides the positions and the intensities of the rotation and rotation-
- 1
vibration lines of the water molecule between 0 and 4350 cm , for the three isotopic species
1 6 1 7 1 8
H 0,H 0 andH 0; it is the result of several years of extensive research by the authors.
2 2 2
This book will be without doubt a very precious tool for a great number of scientists who
are interested in various fields ranging from chemical and molecular physics to physics of
the earth's atmosphere and astrophysics. The interest which has been roused for many years
by the study of the spectrum of water originates essentially from two properties of this
molecule: its very particular structure and its great abundance in the universe.
The water molecule is at the same time one of the simplest and the most abundant of the
polyatomic molecules belonging to the family of "asymmetric tops" and it is principally the
study of microwave and infrared spectra of H 0 which has permitted the creation and improve-
2
ment of the theoretical techniques thanks to which we know at the present how to interpret
the very complex rotational structures of this type of molecules. The authors of the Atlas
have played an important part in the most recent developments of this theoretical research.
Moreover, the presence in H 0 of two very light nuclei results, as far as the dynamics of
2
the molecule is concerned, in very particular properties: very low values for the moments
of inertia, large amplitude motion for two of the nuclei, poor separation of the vibration
and the rotation, poor convergence of the perturbation calculations. These particularities,
when one wants to relate the structure of the spectrum to the characteristic parameters of
the molecule, result in theoretical problems which are far from being solved. A coherent
and accurate set of data such as the one presented in this Atlas will be very useful to the
theoreticians who work on these problems.
We think, however, that the largest number of users of this Atlas will be found among
the astrophysicists and physicists of the earth's atmosphere. The water molecule is present
in many objects, very different in nature, in all regions of the universe and, in particular,
in the atmosphere of cold stars and planets. A precise knowledge of the positions and the
intensities of the spectral lines of water is essential in order to extract from these
spectra all the information they contain. This applies in particular to the earth's atmos-
phere in which water is responsible for a large part of the absorption of solar radiation
in the infrared. Studies concerning the photochemistry of the earth's atmosphere are of
vital importance for a better knowledge of both our environment and the future of life.
These studies have underlined the role played by various constituants of very low abundance
in the earth's atmosphere. Spectroscopic methods are very often used in order to identify
these constituants and to measure their concentration. In this kind of work a profound
knowledge of the spectrum of water in all its isotopic forms is essential, due to the large
number and the omnipresence of water lines of strong or weak intensity. The publication of
this Atlas seems to us particularly appropriate at a time when a number of scientific pro-
jects initiated in several countries should be producing in the years to come an ample
harvest of atmospheric spectra recorded from satellites, balloons or aircraft and from the
ground.
Among the authors who have contributed to improving our knowledge of the water spectrum,
a very special tribute must certainly be paid to William S. Benedict. His recent death has
left a great void in the hearts of his friends; it has also been a deep loss for molecular
spectroscopy which he has so brillantly served for many years. The authors of this book
consider their own contribution to the knowledge of H 0 as a continuation of the study of
2
this molecule in the spirit of the work of Bill Benedict and they have dedicated this Atlas
to his memory. It is therefore with a homage to William S.-Benedict that this book begins.
All of Bill's friends - and they are numerous - will be grateful to John N. Howard for
having accepted to write this homage.
G . Á Ì A Ô
- la -