Mark List

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Photolysis Parameters

Updated photolysis parameterisations for MCMv3.3.1 are available here (click here)
Reactant MCMv3.3.1 designationa Products Absorption Cross-section (ς)§ Quantum Yield (φ)§ Comments
Inorganics
O3 (J1)
(J2)
→ O(1D) +O2
→ O(3P) +O2
Molina and Molina (1986) link
Matsumi et al. (2002) link
Matsumi et al. (2002) link
IUPAC recommended
  • T dependent CS defined.
  • 298 K QYs defined.
  • T dependent (O1D) QY calculation available here.
H2O2 (J3)
→ OH + OH
Average from:
Lin et al. (1978) link
Molina and Molina (1981) link
Nicovich and Wine (1988) link
Vaghjiani & Ravishankara (1989) link
IUPAC recommended
Vaghjiani & Ravishankara (1990) link
IUPAC recommended
  • QY (J3) 1.00 (> 230 nm)
NO2 (J4)
→ NO + O(3P)
Average from:
Merienne et al. (1995) link
Coquart et al. (1995) link
Jenouvrier et al. (1996) link
Merienne et al. (1997) link
IUPAC recommended
Gardner et al. (1987) link
IUPAC recommended
  • QY corrected by Troe et al. (2000) link
NO3 (J5)
(J6)
→ NO + O2
→ NO2 + O(3P)
Sander (1986) link
IUPAC recommended
Johnston et al. (1996) link
Johnston et al. (1996) link
IUPAC recommended
  • QY (J6) is 1.00 below 585 nm
HONO (J7)
→ NO + OH
Bongartz et al. (1991, 1994) link
link
IUPAC recommended
Cox and Derwent (1976-77) link
IUPAC recommended
  • QY (J7) is 1.00 (190 to 400 nm)
HNO3 (J8)
→ NO2 + OH
Burkholder et al. (1993) IUPAC recommended Turnipseed et al. (1991) link
IUPAC recommended
  • T dependent CS defined.
  • QY (J8) is 1.00 (> 248 nm)
Carbonyls

HCHO
(J11)
(J12)
→ H + HCO
→ H2 + CO
Meller and Moortgat (2000) link
IUPAC recommended
(J11) Smith et al. (2002) link
(J12) Moortgat et al. (1983) link
IUPAC recommended
  • Temperature dependent CS.
  • (J12) QYs are p and T dependent > 330 nm.

CH3CHO
(J13) → CH3 + HCO Martinez et al. (1992) link
IUPAC recommended
Meyrahn et al. (1982)
IUPAC recommended
  • Only the radical channel (J13) is important > 290 nm.

C2H5CHO
(J14) → C2H5 + HCO Martinez et al. (1992) link
IUPAC recommended
Chen and Zhu (2001) link
IUPAC recommended
  • (J14) p dependent QYs calculation available here.
  • IUPAC discusses QY but cannot recommend values.

C3H7CHO
(J15)b
(J16)
n-C3H7 + HCO
→ C2H4 + CH3CHO
Martinez et al. (1992) link
IUPAC recommended
(J15) Tadic et al. (2001) link
(J16) Tadic et al. (2001) link
IUPAC recommended
  • QY (J15) 0.21 (290 to 380 nm)
  • QY (J16) 0.10 (290 to 380 nm)

IPRCHO
(J17)b n-C4H9 + HCO Martinez et al. (1992) link
Chen et al. (2002) link
 

MACR
(J18)b
(J19)b
→ CH2=CCH3 + HCO
→ CH2=C(CH3)CO + H
Gierczak et al. (1997) link
IUPAC recommended
Average from:
Carter (2000)
Moortgat et al. (2000)
Pinho et al. (2005) link
IUPAC recommended
  • QY (J18) 1.95E-3
  • QY (J19) 1.95E-3
  • See Pinho et al. (2005) link for details

C5HPALD1
(J20) → CH3C(CHO)=CHCH2O + OH Gierczak et al. (1997) link
φ = 1.00
  • A value of QY = 1.0 is assumed over the relevant wavelength range, based on information provided by Peeters et al. (2009)

CH3COCH3
(J21) → CH3CO + CH3 Gierczak et al. (1998) link
IUPAC recommended
Blitz et al. (2004) link
IUPAC recommended
  • T dependent CS defined.
  • 298 K CS available here(calculation here).
  • 1 bar and 298 K QY defined.
  • T and p dependent QY calculation available here.
  • Only channel (J21) currently defined in MCMv3.2.

MEK
(J22)b → CH3CO + C2H5 Martinez et al. (1992) link
IUPAC recommended
Pinho et al. (2005) link
  • QY (J22) 0.16 (275 to 380 nm)
  • 298 K CS available here(calculation here).
  • Average of the optimised QY used in the evaluation of the MCM and SAPRC-99 using chamber data (see Pinho et al. (2005) link for details)

MVK
(J23)
(J24)b
→ CH3CH=CH2 + CO
→ CH3CO + CH2=CH
Gierczak et al. (1997) link
IUPAC recommended
Gierczak et al. (1997) link
IUPAC recommended
  • Atmospheric pressure QYs defined (1 bar).
  • p dependent QY calculation available here.

GLYOX
(J31)
(J32)
(J33)
→ CO + CO + H2
→ HCHO + CO
→ HCO + HCO
Volkamer et al. (2005) link
Tadic et al. (2006) link

MGLYOX
(J34)b → CH3CO + HCO Combination of:
Staffelbach et al. (1995) link
Meller et al. (1991) link
IUPAC recommended
Chen et al. (2000) link
IUPAC recommended
  • p dependent QY calculation available here.
  • Zero and 760 Torr QY data in reasonable agreement with Koch and Moortgat (1998) link.

BIACET
(J35)b → CH3CO + CH3CO Horowitz et al. (2001) link Plum et al. (1983) link
  • QY (J35) 0.158 (290 to 460 nm)
Organic Peroxides

CH3OOH
(J41)b → CH3O + OH Vaghjiani & Ravishankara (1989) link
IUPAC recommended
Vaghjiani & Ravishankara (1990) link
IUPAC recommended
  • QY (J41) 1.00 (> 290 nm)
Organic Nitrates

CH3NO3
(J51) → CH3O + NO2 Average from:
Roberts and Fajer (1989) link
Rattigan et al. (1992) link
Talukdar et al. (1997) link
IUPAC recommended
Talukdar et al. (1997) link
IUPAC recommended
  • T dependent CS defined
  • QY (J51) 1.00 (> 248 nm)

C2H5NO3
(J52) → C2H5O + NO2 Average from:
Zhu and Ding (1997) link
Clemitshaw et al. (1997) link
Talukdar et al. (1997) link
Turberg et al. (1990) link
IUPAC recommended
Zhu and Ding (1997) link
IUPAC recommended
  • 298 K CS taken from Turberg et al. (1990) link
  • T dependent average defined
  • QY (J52) 1.00 (290 to 340 nm)

NC3H7NO3
(J53)b n-C3H7O + NO2 Average from:
Roberts and Fajer (1989) link
Turberg et al. (1990) link
Clemitshaw et al. (1997) link
Talukdar et al. (1997) link
IUPAC recommended
φ = 1.00
IUPAC recommended
  • No data on either the photo-products or the quantum yields.
  • QY based on data for ethyl and methyl nitrate (see IUPAC recommendations).

IC3H7NO3
(J54)b → CH3C(O.)CH3 + NO2 Average from:
Roberts and Fajer (1989) link
Turberg et al. (1990) link
Clemitshaw et al. (1997) link
Talukdar et al. (1997) link
IUPAC recommended
φ = 1.00
IUPAC recommended
  • T dependent CS defined.
  • No data on either the photo-products or the quantum yields.
  • QY based on data for ethyl and methyl nitrate (see IUPAC recommendations).

TC4H9NO3
(J55)b t-C4H9O + NO2 Roberts and Fajer (1989) link
φ = 1.00
  • 298 K CS wavelength dependent parameterisation available.
  • QY assumed to be unity.

NOA
(J56)b
→ CH3C(O)CH2(O.) + NO2
→ CH3CO + HCHO + NO2
Average from:
Roberts and Fajer (1989) link
Barnes et al. (1993) link
φ = 0.9
Reactant (MCM) names link to a file containing all the recommended cs and qy text files/calculation spread sheets.
§ All recommended cross sections, many at different wavelength resolutions, are available to download form the MPI-Mainz UV-Vis Spectral Atlas of Gaseous Molecules (http://www.atmosphere.mpg.de/enid/2295)
aParameter numbers are consistent with those applied in the MCM (e.g. see Saunders et al. (2003))
bThese parameters are also used to define the photolysis rates of a much larger number of related species (see Saunders et al. (2003) and Jenkin et al. (1997))

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Andrew Rickard