Water ice deuteration: a tracer of the chemical history of protostars

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Volume 550 (February 2013)

A&A, 550 (2013) A127

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Table B.1

List of grain surface chemical reactions considered in this work along with their activation barriers and transmission probabilities.

Reaction							E_a (K)	P _r

H	+	H	→	(o)H₂			0	0.75
H	+	H	→	(p)H₂			0	0.25
H	+	D	→	HD			0	1
D	+	D	→	(o)D₂			0	0.66
D	+	D	→	(p)D₂			0	0.33

CO	+	H	→	HCO			1763	1.92(−07)
CO	+	D	→	DCO			/	1.92(−08)

HCO	+	H	→	H₂CO			0	1
HCO	+	D	→	HDCO			0	1
DCO	+	H	→	HDCO			0	1
DCO	+	D	→	D₂CO			0	1

H₂CO	+	H	→	CH₃O			/	9.60(−08)
H₂CO	+	D	→	CH₂DO			/	9.60(−09)
H₂CO	+	D	→	HCO	+	HD	/	9.31(−08)
H₂CO	+	D	→	HDCO	+	H	/	9.31(−08)
HDCO	+	H	→	CH₂DO			/	1.11(−07)
HDCO	+	D	→	CHD₂O			/	1.11(−07)
HDCO	+	H	→	HCO	+	HD	/	1.54(−07)
HDCO	+	D	→	DCO	+	HD	/	9.31(−08)
HDCO	+	D	→	D₂CO	+	H	/	9.31(−08)
D₂CO	+	H	→	CHD₂O			/	1.27(−07)
D₂CO	+	D	→	CD₃O			/	1.27(−08)
D₂CO	+	H	→	DCO	+	HD	/	7.30(−08)

CH₃O	+	H	→	CH₃OH			0	1
CH₃O	+	D	→	CH₃OD			0	1
CH₂OH	+	H	→	CH₃OH			0	1
CH₂OH	+	D	→	CH₂DOH			0	1
CH₂OD	+	H	→	CH₃OD			0	1
CH₂OD	+	D	→	CH₂DOD			0	1
CH₂DO	+	H	→	CH₂DOH			0	1
CH₂DO	+	D	→	CH₂DOD			0	1
CHDOH	+	H	→	CH₂DOH			0	1
CHDOH	+	D	→	CHD₂OH			0	1
CHDOD	+	H	→	CH₂DOD			0	1
CHDOD	+	D	→	CHD₂OD			0	1
CHD₂O	+	H	→	CHD₂OH			0	1
CHD₂O	+	D	→	CHD₂OD			0	1
CD₂OH	+	H	→	CHD₂OH			/	1
CD₂OH	+	D	→	CD₃OH			0	1
CD₂OD	+	H	→	CHD₂OD			0	1
CD₂OD	+	D	→	CD₃OD			0	1
CD₃O	+	H	→	CD₃OH			0	1
CD₃O	+	D	→	CD₃OD			0	1

CH₃OH	+	D	→	CH₂OH	+	HD	/	2.88(−07)
CH₂DOH	+	D	→	CHDOH	+	HD	/	1.92(−07)
CHD₂OH	+	D	→	CD₂OH	+	HD	/	1.50(−07)
CH₃OD	+	D	→	CH₂OD	+	HD	/	2.88(−07)
CH₂DOD	+	D	→	CHDOD	+	HD	/	1.92(−07)
CHD₂OD	+	D	→	CD₂OD	+	HD	/	1.50(−07)

O	+	O	→	O₂			0	1
O₂	+	O	→	O₃			0	1

O	+	H	→	OH			0	1
O	+	D	→	OD			0	1

OH	+	H	→	H₂O			0	1
OH	+	D	→	HDO			0	1
OD	+	H	→	HDO			0	1
OD	+	D	→	D₂O			0	1
OH	+	OH	→	H₂O₂			0 (R = 0.8)	1
OD	+	OH	→	HDO₂			0 (R = 0.8)	1
OD	+	OD	→	D₂O₂			0 (R = 0.8)	1
OH	+	OH	→	H₂O	+	O	0 (R = 0.2)	1
OD	+	OH	→	HDO	+	O	0 (R = 0.2)	1
OD	+	OD	→	D₂O	+	O	0 (R = 0.2)	1
OH	+	H₂	→	H₂O	+	H	2935	4.07(−07)
OD	+	H₂	→	HDO	+	H	2855	3.62(−07)
OD	+	HD	→	D₂O	+	H	3051	1.00(−09)
OD	+	HD	→	HDO	+	D	3026	8.07(−10)
OH	+	HD	→	H₂O	+	D	2789	8.74(−07)
OH	+	HD	→	HDO	+	H	2900	2.81(−09)
OH	+	D₂	→	HDO	+	D	2703	7.99(−07)
OD	+	D₂	→	D₂O	+	D	2870	2.26(−09)

O₂	+	H	→	HO₂			0	1
O₂	+	D	→	DO₂			0	1

HO₂	+	H	→	H₂O₂			0	1
HO₂	+	D	→	HDO₂			0	1
DO₂	+	H	→	HDO₂			0	1
DO₂	+	D	→	D₂O₂			0	1

H₂O₂	+	H	→	H₂O	+	OH	2508	1.37(−07)
H₂O₂	+	D	→	HDO	+	OH	2355	5.54(−09)
HDO₂	+	H	→	HDO	+	OH	2523	1.23(−07)
HDO₂	+	H	→	H₂O	+	OD	2524	1.22(−07)
HDO₂	+	D	→	D₂O	+	OH	2369	5.28(−09)
HDO₂	+	D	→	HDO	+	OD	2367	5.29(−09)
D₂O₂	+	H	→	D₂O	+	OH	2540	1.08(−07)
D₂O₂	+	D	→	D₂O	+	OD	2384	4.28(−09)

O₃	+	H	→	O₂	+	OH	0	1
O₃	+	D	→	O₂	+	OD	0	1

N	+	H	→	NH			0	1
N	+	D	→	ND			0	1

NH	+	H	→	NH₂			0	1
NH	+	D	→	NHD			0	1
ND	+	H	→	NHD			0	1
ND	+	D	→	ND₂			0	1

NH₂	+	H	→	NH₃			0	1
NH₂	+	D	→	NH₂D			0	1
NHD	+	H	→	NH₂D			0	1
NHD	+	D	→	NHD₂			0	1
ND₂	+	H	→	NHD₂			0	1
ND₂	+	D	→	ND₃			0	1

C	+	H	→	CH			0	1
C	+	D	→	CD			0	1

CH	+	H	→	CH₂			0	1
CH	+	D	→	CHD			0	1
CD	+	H	→	CHD			0	1
CD	+	D	→	CD₂			0	1

CH₂	+	H	→	CH₃			0	1
CH₂	+	D	→	CH₂D			0	1
CHD	+	H	→	CH₂D			0	1
CHD	+	D	→	CHD₂			0	1
CD₂	+	H	→	CHD₂			0	1
CD₂	+	D	→	CD₃			0	1

CH₃	+	D	→	CH₃D			0	1
CH₂D	+	H	→	CH₃D			0	1
CH₂D	+	D	→	CH₂D₂			0	1
CHD₂	+	H	→	CH₂D₂			0	1
CHD₂	+	D	→	CHD₃			0	1
CD₃	+	H	→	CHD₃			0	1
CD₃	+	D	→	CD₄			0	1

HCO	+	O	→	CO₂	+	H	0	1
DCO	+	O	→	CO₂	+	D	0	1

CO	+	O	→	CO₂			2500	4.80(−23)

CO	+	OH	→	t-HOCO			285	3.50(−03)
CO	+	OD	→	t-DOCO			121	1.63(−01)
CO	+	OH	→	c-HOCO			2128	5.81(−17)
CO	+	OD	→	c-DOCO			1964	9.57(−16)

t-HOCO*	+		→	CO	+	OH	13 050	1.63(−10)
t-HOCO*	+		→	c-HOCO			4114	1
t-HOCO	+	H	→	CO₂	+	H₂	0	1
t-HOCO	+	H	→	H₂O	+	CO	0	1
t-HOCO	+	H	→	HCOOH			0	1
t-HOCO	+	D	→	CO₂	+	HD	0	1
t-HOCO	+	D	→	HDO	+	CO	0	1
t-HOCO	+	D	→	HCOOD			0	1

c-HOCO*	+		→	t-HOCO			3272	1
c-HOCO*	+		→	CO₂	+	H	12 440	2.63(−01)
c-HOCO	+		→	t-HOCO			3272	1.19(−17)
c-HOCO	+		→	CO₂	+	H	12 440	2.94(−21)
c-HOCO	+	H	→	CO₂	+	H₂	0	1
c-HOCO	+	H	→	H₂O	+	CO	0	1
c-HOCO	+	H	→	HCOOH			0	1
c-HOCO	+	D	→	CO₂	+	HD	0	1
c-HOCO	+	D	→	HDO	+	CO	0	1
c-HOCO	+	D	→	HCOOD			0	1

t-DOCO*	+		→	CO	+	OD	13 220	9.27(−02)
t-DOCO*	+		→	c-DOCO			4238	1
t-DOCO	+	H	→	CO₂	+	HD	0 (R = 0.33)	1
t-DOCO	+	H	→	HDO	+	CO	0 (R = 0.33)	1
t-DOCO	+	H	→	DCOOH			0 (R = 0.33)	1
t-DOCO	+	D	→	CO₂	+	D₂	0 (R = 0.33)	1
t-DOCO	+	D	→	D₂O	+	CO	0 (R = 0.33)	1
t-DOCO	+	D	→	DCOOD			0 (R = 0.33)	1

c-DOCO*	+		→	t-DOCO			3343	1
c-DOCO*	+		→	CO₂	+	D	13 230	6.18(−02)
c-DOCO	+		→	t-DOCO			3343	1.51(−22)
c-DOCO	+	D	→	CO₂	+	D₂	0 (R = 0.33)	1
c-DOCO	+	D	→	D₂O	+	CO	0 (R = 0.33)	1
c-DOCO	+	D	→	DCOOD			0 (R = 0.33)	1
c-DOCO	+	H	→	CO₂	+	HD	0 (R = 0.33)	1
c-DOCO	+	H	→	HDO	+	CO	0 (R = 0.33)	1
c-DOCO	+	H	→	DCOOH			0 (R = 0.33)	1

O	+	CO	→	O...CO			0	1
O...CO	+	H	→	HO...CO			0	1
HO...CO			→	t-HOCO			775	9.46(−09)
HO...CO			→	c-HOCO			2618	8.17(−21)
HO...CO*			→	t-HOCO			775	1
HO...CO*			→	c-HOCO			2618	1
DO...CO			→	t-DOCO			727	2.97(−18)
DO...CO			→	c-DOCO			2769	1.60(−20)
DO...CO*			→	t-DOCO			727	1
DO...CO*			→	c-DOCO			2769	1

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