skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Quantitative infrared absorption cross sections of isoprene for atmospheric measurements

Journal Article · · Atmospheric Measurement Techniques (Online)

Isoprene (C5H8, 2-methyl-1,3-butadiene) is a volatile organic compound (VOC) and is one of the primary contributors to annual global VOC emissions. Isoprene is produced primarily by vegetation as well as anthropogenic sources, and its OH- and O3-initiated oxidations are a major source of atmospheric oxygenated organics. Few quantitative infrared studies have been reported for isoprene, limiting the ability to quantify isoprene emissions via remote or in situ infrared detection. We thus report absorption cross sections and integrated band intensities for isoprene in the 600–6500 cm-1 region. The pressure-broadened (1 atmosphere N2) spectra were recorded at 278, 298, and 323 K in a 19.94 cm path-length cell at 0.112 cm-1 resolution, using a Bruker IFS 66v/S Fourier transform infrared (FTIR) spectrometer. Composite spectra are derived from a minimum of seven isoprene sample pressures, each at one of three temperatures, and the number densities are normalized to 296 K and 1 atm.

Sponsoring Organization:
USDOE Office of Defense Programs (DP)
Grant/Contract Number:
AC05-76RL01830
OSTI ID:
1197861
Journal Information:
Atmospheric Measurement Techniques (Online), Journal Name: Atmospheric Measurement Techniques (Online) Vol. 7 Journal Issue: 11; ISSN 1867-8548
Publisher:
Copernicus Publications, EGUCopyright Statement
Country of Publication:
Germany
Language:
English
Citation Metrics:
Cited by: 26 works
Citation information provided by
Web of Science

References (44)

Thermodynamics of the Hydroxyl Radical Addition to Isoprene journal July 2008
An AB initio structural investigation of 1,3-butadiene, isoprene and 2,3-dimethyl-1,3-butadiene rotamers journal May 1989
Why plants emit isoprene journal April 1995
External cavity quantum cascade laser tunable from 7.6 to 11.4 μm journal August 2009
Trace species detection in the near infrared using Fourier transform broadband cavity enhanced absorption spectroscopy: initial studies on potential breath analytes journal January 2011
Airborne and ground-based measurements of the trace gases and particles emitted by prescribed fires in the United States journal January 2011
Airborne Flux Measurements of BVOCs above Californian Oak Forests: Experimental Investigation of Surface and Entrainment Fluxes, OH Densities, and Damköhler Numbers journal October 2013
Conformations of conjugated hydrocarbons. Part 1. A spectroscopic and thermodynamic study of buta-1,3-diene and 2-methylbuta-1,3-diene (isoprene) journal January 1976
Global emissions of non-methane hydrocarbons deduced from SCIAMACHY formaldehyde columns through 2003–2006 journal January 2009
Kinetics of the OH-initiated oxidation of isoprene journal March 2000
Ab initio structures and vibrational analysis of the isoprene conformers journal September 1987
Seasonal trends of isoprene, C 2 –C 5 alkanes, and acetylene at a remote boreal site in Canada journal January 1994
Structure and conformations of isoprene by vibrational spectroscopy and gas electron diffraction journal April 1984
An infrared spectral database for detection of gases emitted by biomass burning journal May 2010
Predictive abilities of scaled quantum-mechanical molecular force fields: application to 2-methylbuta-1,3-diene (isoprene) journal March 2008
Removing aperture-induced artifacts from fourier transform infrared intensity values journal January 2002
Measurements of reactive trace gases and variable O 3 formation rates in some South Carolina biomass burning plumes journal January 2013
Quantitative IR Spectrum and Vibrational Assignments for Glycolaldehyde Vapor: Glycolaldehyde Measurements in Biomass Burning Plumes journal May 2013
The Model of Emissions of Gases and Aerosols from Nature version 2.1 (MEGAN2.1): an extended and updated framework for modeling biogenic emissions journal January 2012
Synthetic Calibration and Quantitative Analysis of Gas-Phase FT-IR Spectra journal January 1996
Gas-Phase Databases for Quantitative Infrared Spectroscopy journal December 2004
Mid-infrared Fourier transform spectroscopy with a broadband frequency comb journal January 2010
Field measurements of trace gases emitted by prescribed fires in southeastern US pine forests using an open-path FTIR system journal January 2014
Emission factors for open and domestic biomass burning for use in atmospheric models journal January 2011
A unified mechanism of action for volatile isoprenoids in plant abiotic stress journal April 2009
Microwave Studies of Butadiene Derivatives. II. Isoprene journal January 1964
Absorption Cross-Sections of the C—H Overtone of Volatile Organic Compounds: 2 Methyl-1,3-Butadiene (Isoprene), 1,3-Butadiene, and 2,3-Dimethyl-1,3-Butadiene journal February 2007
Absolute integrated intensities of vapor-phase hydrogen peroxide (H2O2) in the mid-infrared at atmospheric pressure journal May 2009
Conformational Thermodynamic and Kinetic Parameters of Methyl-Substituted 1,3-Butadienes journal August 2005
Macmolplt: a graphical user interface for GAMESS journal June 1998
The NIST quantitative infrared database journal January 1999
Human breath isoprene and its relation to blood cholesterol levels: new measurements and modeling journal August 2001
Simultaneous online detection of isoprene and isoprene- d 2 using infrared photoacoustic spectroscopy journal September 2002
Laboratory measurements of trace gas emissions from biomass burning of fuel types from the southeastern and southwestern United States journal January 2010
Observed and modeled ecosystem isoprene fluxes from an oak-dominated temperate forest and the influence of drought stress journal February 2014
Vibrational analysis of buta-1,3-diene and its deutero and 13C derivatives and some of their rotational isomers journal March 2008
Quantitative infrared spectra of vapor phase chemical agents conference August 2003
Auxiliary computation for Fourier spectrometry journal March 1967
Quantitative Infrared Intensity Studies of Vapor-Phase Glyoxal, Methylglyoxal, and 2,3-Butanedione (Diacetyl) with Vibrational Assignments journal September 2011
Measurement of HONO, HNCO, and other inorganic acids by negative-ion proton-transfer chemical-ionization mass spectrometry (NI-PT-CIMS): application to biomass burning emissions journal January 2010
Quantitative and qualitative sensing techniques for biogenic volatile organic compounds and their oxidation products journal January 2013
Assessing sources of uncertainty in formaldehyde air mass factors over tropical South America: Implications for top-down isoprene emission estimates: TROPICAL HCHM AMFS journal July 2012
Coupling field and laboratory measurements to estimate the emission factors of identified and unidentified trace gases for prescribed fires journal January 2013
Kinetics and Mechanism of the Reaction of the Hydroxyl Radical with h 8 -Isoprene and d 8 -Isoprene:  Isoprene Absorption Cross Sections, Rate Coefficients, and the Mechanism of Hydroperoxyl Radical Production journal March 2004

Similar Records

Quantitative infrared absorption cross sections of isoprene for atmospheric measurements
Journal Article · Wed Nov 19 00:00:00 EST 2014 · Atmospheric Measurement Techniques · OSTI ID:1197861

Quantitative Measurement of Integrated Band Intensities of Benzene Vapor in the Mid-Infrared at 278, 298, and 323 K
Journal Article · Wed Oct 01 00:00:00 EDT 2008 · Journal of Quantitative Spectroscopy and Radiative Transfer, 109(15):2511-2522 · OSTI ID:1197861

Kinetics and mechanism of the reaction of Cl atoms with 2-methyl-1,3-butadiene (isoprene) at 298 K
Journal Article · Thu Feb 20 00:00:00 EST 1997 · Journal of Physical Chemistry A: Molecules, Spectroscopy, Kinetics, Environment, amp General Theory · OSTI ID:1197861

Related Subjects