Skip to main content
U.S. Department of Energy
Office of Scientific and Technical Information

Inelastic, exchange, and reactive processes in rovibrationally excited collisions of HD with H

Journal Article · · Monthly Notices of the Royal Astronomical Society
ABSTRACT

The HD molecule is an important coolant in early universe chemistry models and a tracer of H2 in star-forming regions. Rate coefficients for collisional excitation and de-excitation of HD rotational and vibrational levels form important ingredients in astrophysical models. While collisions with He, H2, and H are the most important, available data for H + HD collisions are largely limited to temperatures less than 1000 K for the vibrational ground state, low-lying rotational levels of the v = 1 HD vibrational level, or computed without reactive contributions. Here, through explicit quantum scattering calculations, we report extensive data for rovibrational transitions in HD induced by H atoms for a range of rotational levels in v = 1 and some v = 0 levels for temperatures up to 1000 K. The significance of the computed results for astrophysical modeling is discussed.

Research Organization:
Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)
Sponsoring Organization:
China Scholarship Council; National Natural Science Foundation of China; National Science Foundation (NSF); USDOE; USDOE Laboratory Directed Research and Development (LDRD) Program; USDOE National Nuclear Security Administration (NNSA)
Grant/Contract Number:
89233218CNA000001
OSTI ID:
1821237
Alternate ID(s):
OSTI ID: 1994121
Report Number(s):
LA-UR-21-25159
Journal Information:
Monthly Notices of the Royal Astronomical Society, Journal Name: Monthly Notices of the Royal Astronomical Society Journal Issue: 4 Vol. 507; ISSN 0035-8711
Publisher:
Oxford University PressCopyright Statement
Country of Publication:
United Kingdom
Language:
English

References (45)

Recombination resonances in thermal H + O2 scattering journal March 1995
ABC: a quantum reactive scattering program journal December 2000
Effect of Reagent Vibration and Rotation on the State-to-State Dynamics of the Hydrogen Exchange Reaction, H + H 2 → H 2 + H journal October 2020
Differential Cross Sections for the H + D 2 → HD( v ′ = 3, j ′ = 4–10) + D Reaction above the Conical Intersection journal July 2015
Rotational Excitation of HD by Hydrogen Revisited journal October 2018
Nonadiabatic Ultracold Quantum Reactive Scattering of Hydrogen with Vibrationally Excited HD( v = 5–9) journal October 2019
Prediction of a Feshbach Resonance in the Below-the-Barrier Reactive Scattering of Vibrationally Excited HD with H journal June 2020
Imaging the State-to-State Dynamics of the H + D 2 → HD + D Reaction at 1.42 eV journal January 2020
Forward scattering due to slow-down of the intermediate in the H + HD → D + H2 reaction journal September 2002
Direct observation of forward-scattering oscillations in the H+HD→H2+D reaction journal April 2018
Rovibrational excitation of HD in collisions with atomic and molecular hydrogen journal November 1999
The cooling of astrophysical media by HD journal June 2000
HD in the primordial gas journal November 2000
The first spectral line surveys searching for signals from the dark ages journal June 2010
BASECOL2012: A collisional database repository and web service within the Virtual Atomic and Molecular Data Centre (VAMDC) journal April 2013
Far-infrared HD emission as a measure of protoplanetary disk mass journal September 2017
Mass constraints for 15 protoplanetary discs from HD 1–0 journal February 2020
H+D 2 reaction dynamics. Determination of the product state distributions at a collision energy of 1.3 eV journal May 1984
Quantum reactive scattering via the S ‐matrix version of the Kohn variational principle: Differential and integral cross sections for D+H 2 →HD+H journal August 1989
Quantum dynamics of the H+D 2 →D+HD reaction: Comparison with experiment journal May 1991
Accurate a b i n i t i o potential energy computations for the H 4 system: Tests of some analytic potential energy surfaces journal September 1991
Kinetic isotope effects and how to describe them journal November 2017
Symmetry and the geometric phase in ultracold hydrogen-exchange reactions journal August 2017
Non-adiabatic quantum reactive scattering in hyperspherical coordinates journal January 2018
Quantum rotational scattering of H 2 and its isotopologues with He journal May 2017
The H+H 2 reactive system. Progress in the study of the dynamics of the simplest reaction journal January 2005
Detection of a Vibration‐Rotation Emission Line of Hydrogen Deuteride toward Orion Peak 1: Excitation Coupling of HD to H 2 journal February 2002
S p i t zer Observations of Hydrogen Deuteride journal July 2006
The Highly Deuterated Chemistry of the Early Universe journal July 2011
ROVIBRATIONAL QUENCHING RATE COEFFICIENTS OF HD IN COLLISIONS WITH He journal December 2011
SPITZER OBSERVATIONS OF SHOCK-EXCITED HYDROGEN DEUTERIDE IN IC 443C, HH 7, AND HH 54: PROBING THE GAS-PHASE DEUTERIUM ABUNDANCE IN THE DENSE INTERSTELLAR MEDIUM journal June 2012
A quantum mechanical study of the rotational excitation of HD by journal January 1999
Geometric phase effects in ultracold hydrogen exchange reaction journal September 2016
Rotational quenching of HD induced by collisions with H2 molecules journal June 2019
On the Behavior of Cross Sections Near Thresholds journal May 1948
Geometric Phase Appears in the Ultracold Hydrogen Exchange Reaction journal October 2015
The cooling function of HD molecule revisited journal August 2005
The excitation of molecular hydrogen by atomic hydrogen in astrophysical media journal November 2007
Uncertainties in H 2 and HD chemistry and cooling and their role in early structure formation journal August 2008
Observation of the geometric phase effect in the H + HD → H 2 + D reaction journal December 2018
S CATTERING R ESONANCES IN THE S IMPLEST C HEMICAL R EACTION journal October 2002
State-to-State Dynamics of Elementary Bimolecular Reactions journal May 2007
Rotational Quenching of HD in Collisions with H 2 : Resolving Discrepancies for Low-lying Rotational Transitions journal October 2018
Hydrogen Molecules in the Dark Ages Halos: Thermal Emission versus Resonant Scattering journal December 2019
SOFIA/EXES Observations of Warm H 2 at High Spectral Resolution: Witnessing Para-to-ortho Conversion behind a Molecular Shock Wave in HH7 journal June 2019

Similar Records

ROVIBRATIONAL QUENCHING RATE COEFFICIENTS OF HD IN COLLISIONS WITH He
Journal Article · Sat Dec 31 23:00:00 EST 2011 · Astrophysical Journal · OSTI ID:22004344

Measurement of rotational energy transfer rates for HD (v = 1) in collisions with thermal HD
Journal Article · Tue Jul 15 00:00:00 EDT 1986 · J. Chem. Phys.; (United States) · OSTI ID:5797909