The rotational excitation of the water isotopologues by molecular hydrogen

被引:6
作者
Faure, A. [1 ]
Zoltowski, M. [2 ,3 ]
Wiesenfeld, L. [4 ]
Lique, F. [3 ]
Bergeat, A. [5 ]
机构
[1] Univ Grenoble Alpes, CNRS, IPAG, F-38000 Grenoble, France
[2] Univ Le Havre Normandie, CNRS, LOMC, F-76600 Le Havre, France
[3] Univ Rennes, CNRS, IPR Inst Phys Rennes, F-35000 Rennes, France
[4] Univ Paris Saclay, CNRS, Lab Aime Cotton, F-91405 Orsay, France
[5] Univ Bordeaux, CNRS, ISM, F-33400 Talence, France
关键词
astrochemistry; line: formation; masers; molecular data; molecular processes; scattering; DISKS; INTERSTELLAR; COLLISION; DATABASE;
D O I
10.1093/mnras/stad3037
中图分类号
P1 [天文学];
学科分类号
0704 ;
摘要
We present cross-sections and rate coefficients for rotational transitions in the water isotopologues D2O, (H2O)-O-18, and HDO induced by collisions with para-H-2(j(2) = 0) and ortho-H-2(j(2) = 1). Quantum scattering calculations are performed at the full close-coupling level with the isotopic variants of an accurate full-dimensional H2O-H-2 interaction potential. The D2O, (H2O)-O-18, and HDO cross-sections are compared to the corresponding cross-sections for H2O. Large isotopic effects are observed in the case of D2O and HDO, in particular for collisions with p-H-2(j(2) = 0), while the O-18 isotopic substitution is found to be negligible. Rate coefficients are provided for rotational transitions among all para-D2O, ortho-D2O, and HDO levels with internal energy below 300 cm(-1) and for kinetic temperatures in the range 5-300 K. Non-LTE radiative transfer calculations show that the HDO 225.9 GHz and (H2O)-O-18 203.4 GHz transitions recently detected with ALMA in the young proto-planetary disc V883 Ori should be inverted (weak masers) in a large fraction of the disc.
引用
收藏
页码:3087 / 3093
页数:7
相关论文
共 28 条
[1]   A STABLE LINEAR REFERENCE POTENTIAL ALGORITHM FOR SOLUTION OF THE QUANTUM CLOSE-COUPLED EQUATIONS IN MOLECULAR-SCATTERING THEORY [J].
ALEXANDER, MH ;
MANOLOPOULOS, DE .
JOURNAL OF CHEMICAL PHYSICS, 1987, 86 (04) :2044-2050
[2]   Probing Low-Energy Resonances in Water-Hydrogen Inelastic Collisions [J].
Bergeat, A. ;
Morales, S. B. ;
Naulin, C. ;
Wiesenfeld, L. ;
Faure, A. .
PHYSICAL REVIEW LETTERS, 2020, 125 (14)
[3]   Near-Threshold and Resonance Effects in Rotationally Inelastic Scattering of D2O with Normal-H2 [J].
Bergeat, Astrid ;
Faure, Alexandre ;
Wiesenfeld, Laurent ;
Miossec, Chloe ;
Morales, Sebastien B. ;
Naulin, Christian .
MOLECULES, 2022, 27 (21)
[4]   Low-Energy Water-Hydrogen Inelastic Collisions [J].
Bergeat, Astrid ;
Faure, Alexandre ;
Morales, Sebastien B. ;
Moudens, Audrey ;
Naulin, Christian .
JOURNAL OF PHYSICAL CHEMISTRY A, 2020, 124 (02) :259-264
[5]   THE FOGGY DISKS SURROUNDING AeBe STARS: A THEORETICAL STUDY OF THE HDO LINES [J].
Ceccarelli, C. ;
Cernicharo, J. ;
Menard, F. ;
Pinte, C. .
ASTROPHYSICAL JOURNAL LETTERS, 2010, 725 (02) :L135-L139
[6]   Rotational excitation of 45 levels of ortho/para-H2O by excited ortho/para-H2 from 5 K to 1500 K: state-to-state, effective, and thermalized rate coefficients [J].
Daniel, F. ;
Dubernet, M-L ;
Grosjean, A. .
ASTRONOMY & ASTROPHYSICS, 2011, 536
[7]   Collision-induced excitation of ammonia in warm interstellar and circumstellar environments [J].
Demes, Sandor ;
Lique, Francois ;
Loreau, Jerome ;
Faure, Alexandre .
MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY, 2023, 524 (02) :2368-2378
[8]   Low-temperature water-hydrogen-molecule collisions probed by pressure broadening and line shift [J].
Drouin, Brian ;
Wiesenfeld, Laurent .
PHYSICAL REVIEW A, 2012, 86 (02)
[9]   BASECOL2012: A collisional database repository and web service within the Virtual Atomic and Molecular Data Centre (VAMDC) [J].
Dubernet, M-L ;
Alexander, M. H. ;
Ba, Y. A. ;
Balakrishnan, N. ;
Balanca, C. ;
Ceccarelli, C. ;
Cernicharo, J. ;
Daniel, F. ;
Dayou, F. ;
Doronin, M. ;
Dumouchel, F. ;
Faure, A. ;
Feautrier, N. ;
Flower, D. R. ;
Grosjean, A. ;
Halvick, P. ;
Klos, J. ;
Lique, F. ;
McBane, G. C. ;
Marinakis, S. ;
Moreau, N. ;
Moszynski, R. ;
Neufeld, D. A. ;
Roueff, E. ;
Schilke, P. ;
Spielfiedel, A. ;
Stancil, P. C. ;
Stoecklin, T. ;
Tennyson, J. ;
Yang, B. ;
Vasserot, A-M. ;
Wiesenfeld, L. .
ASTRONOMY & ASTROPHYSICS, 2013, 553
[10]   Rotational excitation of mono- and doubly-deuterated water by hydrogen molecules [J].
Faure, A. ;
Wiesenfeld, L. ;
Scribano, Y. ;
Ceccarelli, C. .
MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY, 2012, 420 (01) :699-704