Ion-molecule reactions involving HCO+ and N2H+: Isotopologue equilibria from new theoretical calculations and consequences for interstellar isotope fractionation

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Volume 566 (June 2014)

A&A, 566 (2014) A144

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Table 5

Equilibrium constants K_e, partition function factors F_q, and rate coefficients k_f,k_r (in 10^-10 cm³ s^-1) for the reactions of H/DCO⁺ with CO.

Reaction	T (K)	5	10	20	40	60	80	100	200	300

F1	F _q	0.9854	0.9832	0.9821	0.9816	0.9814	0.9813	0.9813	0.9815	0.9824
	K _e	34.64	5.83	2.39	1.53	1.32	1.23	1.17	1.07	1.04
	K_e(see ^a)		6.69					1.19	1.08	1.05
	K_e(see ^b)	6.0	2.5	1.6	1.3	1.2	1.1	1.1	1.0	1.0
	(k_f,k_r)	(9.33, 0.27)	(7.85, 1.35)	(6.35, 2.65)	(5.20, 3.40)	(4.67, 3.53)	(4.30, 3.50)	(4.05, 3.45)	(3.21, 2.99)	(2.65, 2.55)
	(k_f,k_r)^b	(8.2, 1.4)	(6.5, 2.7)	(5.5, 3.5)	(4.8, 3.8)	(4.4, 3.8)	(4.1, 3.7)	(3.9, 3.6)	(3.2, 3.0)	(2.6, 2.6)
	(k_f,k_r)^c						(4.2, 3.6)		(3.2, 3.0)	(2.6, 2.5)
F2	F _q	0.9853	0.9831	0.9821	0.9816	0.9814	0.9813	0.9813	0.9814	0.9822
	K _e	34.93	5.85	2.40	1.53	1.32	1.23	1.17	1.07	1.04
	K_e(see ^b)		6.65					1.19	1.08	1.05
	K_e(see ^b)	6.0	2.5	1.6	1.3	1.2	1.1	1.1	1.0	1.0
	(k_f,k_r)	(9.3, 0.27)	(7.86, 1.34)	(6.35, 2.65)	(5.21, 3.39)	(4.67, 3.53)	(4.30, 3.50)	(4.05, 3.45)	(3.21, 2.99)	(2.65, 2.55)
	(k_f,k_r) ^b	(8.2, 1.4)	(6.5, 2.7)	(5.5, 3.5)	(4.8, 3.8)	(4.4, 3.8)	(4.1, 3.7)	(3.9, 3.6)	(3.2, 3.0)	(2.6, 2.6)
F3	F _q	0.9964	0.9951	0.9945	0.9942	0.9941	0.9941	0.9941	0.9941	0.9946
	K _e	3.59	1.89	1.37	1.17	1.11	1.08	1.06	1.03	1.02
	K_e(see ^b)	16.4	4.1	2.0	1.4	1.3	1.2	1.2	1.1	1.0
	(k_f,k_r)	(7.51, 2.09)	(6.01, 3.19)	(5.20, 3.80)	(4.63, 3.97)	(4.31, 3.89)	(4.04, 3.76)	(3.86, 3.64)	(3.14, 3.06)	(2.62, 2.58)
	(k_f,k_r)^b	(9.0, 0.6)	(7.4, 1.8)	(6.0, 3.0)	(5.0, 3.6)	(4.6, 3.6)	(4.2, 3.6)	(4.0, 3.5)	(3.2, 3.0)	(2.7, 2.5)
	(k_f,k_r) ^c						(4.2, 3.5)		(3.2, 2.9)	(2.7, 2.6)
F4	F _q	0.9963	0.9951	0.9945	0.9942	0.9941	0.9941	0.9940	0.9941	0.9943
	K _e	3.61	1.90	1.37	1.17	1.11	1.08	1.06	1.03	1.02
	K_e(see ^b)	16.4	4.1	2.0	1.4	1.3	1.2	1.2	1.1	1.0
	(k_f,k_r)	(7.52, 2.08)	(6.02, 3.18)	(5.21, 3.79)	(4.63, 3.97)	(4.31, 3.89)	(4.05, 3.75)	(3.86, 3.64)	(3.14, 3.06)	(2.62, 2.58)
	(k_f,k_r) ^b	(9.0, 0.6)	(7.4, 1.8)	(6.0, 3.0)	(5.0, 3.6)	(4.6, 3.6)	(4.2, 3.6)	(4.0, 3.5)	(3.2, 3.0)	(2.7, 2.5)
F5	F _q	0.9818	0.9783	0.9767	0.9759	0.9756	0.9755	0.9754	0.9756	0.9769
	K _e	125.26	11.05	3.28	1.79	1.46	1.32	1.24	1.10	1.06
	K_e(see ^a)		13.37					1.27	1.11	1.06
	K_e(see ^b)	81.5	9.0	3.0	1.7	1.4	1.3	1.2	1.1	1.1
	(k_f,k_r)	(9.52, 0.08)	(8.44, 0.76)	(6.90, 2.10)	(5.52, 3.08)	(4.87, 3.33)	(4.44, 3.36)	(4.16, 3.34)	(3.25, 2.95)	(2.67, 2.53)
	(k_f,k_r) ^b	(9.5, 0.1)	(8.3, 0.9)	(6.8, 2.2)	(5.5, 3.1)	(4.8, 3.4)	(4.4, 3.4)	(4.2, 3.3)	(3.3, 2.9)	(2.7, 2.5)
F6	F _q	0.9890	0.9880	0.9875	0.9873	0.9872	0.9872	0.9872	0.9873	0.9878
	K _e	9.66	3.09	1.75	1.31	1.19	1.14	1.11	1.04	1.03
	K_e(see ^a)		3.33					1.11	1.05	1.03
	K_e(see ^b)	0.37	0.61	0.78	0.88	0.92	0.94	0.95	0.98	0.98
	(k_f,k_r)	(8.70, 0.90)	(6.95, 2.25)	(5.72, 3.28)	(4.88, 3.72)	(4.46, 3.74)	(4.15, 3.65)	(3.94, 3.56)	(3.17, 3.03)	(2.63, 2.57)
	(k_r,k_f) ^b	(3.0, 6.6)	(3.7, 5.5)	(4.1, 4.9)	(4.1, 4.5)	(4.0, 4.2)	(3.8, 4.0)	(3.7, 3.8)	(3.1, 3.1)	(2.6, 2.6)
	(k_f,k_r) ^c						(4.3, 4.1)		(3.1, 3.2)	(2.6, 2.5)

F1(D)	F _q	0.9764	0.9733	0.9718	0.9710	0.9708	0.9707	0.9706	0.9716	0.9738
	K _e	74.64	8.51	2.87	1.67	1.39	1.27	1.21	1.08	1.05
	K_e(see ^a)		9.78					1.22	1.09	1.05
	(k_f,k_r)	(9.47, 0.13)	(8.23, 0.97)	(6.68, 2.32)	(5.38, 3.22)	(4.77, 3.43)	(4.37, 3.43)	(4.10, 3.40)	(3.22, 2.98)	(2.66, 2.54)
F2(D)	F _q	0.9762	0.9731	0.9716	0.9709	0.9707	0.9706	0.9705	0.9715	0.9738
	K _e	75.06	8.53	2.88	1.67	1.39	1.27	1.21	1.08	1.05
	(k_f,k_r)	(9.47, 0.13)	(8.23, 0.97)	(6.68, 2.32)	(5.38, 3.22)	(4.77, 3.43)	(4.37, 3.43)	(4.10, 3.40)	(3.22, 2.98)	(2.66, 2.54)
F3(D)	F _q	0.9940	0.9920	0.9911	0.9906	0.9904	0.9904	0.9903	0.9905	0.9911
	K _e	4.65	2.14	1.46	1.20	1.13	1.09	1.07	1.03	1.02
	(k_f,k_r)	(7.90, 1.70)	(6.27, 2.93)	(5.34, 3.66)	(4.69, 3.91)	(4.34, 3.86)	(4.07, 3.73)	(3.88, 3.62)	(3.14, 3.06)	(2.62, 2.58)
F4(D)	F _q	0.9938	0.9918	0.9909	0.9905	0.9904	0.9903	0.9902	0.9905	0.9911
	K _e	4.67	2.15	1.46	1.20	1.13	1.09	1.07	1.03	1.02
	(k_f,k_r)	(7.91, 1.69)	(6.28, 2.92)	(5.34, 3.66)	(4.69, 3.91)	(4.34, 3.86)	(4.07, 3.73)	(3.88, 3.62)	(3.15, 3.05)	(2.62, 2.58)
F5(D)	F _q	0.9704	0.9653	0.9630	0.9618	0.9614	0.9612	0.9611	0.9623	0.9651
	K _e	348.81	18.30	4.19	2.00	1.57	1.39	1.29	1.11	1.06
	(k_f,k_r)	(9.57, 0.03)	(8.72, 0.48)	(7.27, 1.73)	(5.74, 2.86)	(5.01, 3.19)	(4.53, 3.27)	(4.22, 3.28)	(3.27, 2.93)	(2.68, 2.52)
F6(D)	F _q	0.9823	0.9811	0.9805	0.9803	0.9802	0.9801	0.9801	0.9808	0.9826
	K _e	16.06	3.97	1.97	1.39	1.24	1.17	1.13	1.05	1.03
	(k_f,k_r)	(9.04, 0.56)	(7.35, 1.85)	(5.97, 3.03)	(5.00, 3.60)	(4.53, 3.67)	(4.20, 3.60)	(3.97, 3.53)	(3.18, 3.02)	(2.64, 2.56)

Notes.

^(a)

Lohr (1998);

^(b)

Langer et al. (1984);

^(c)

Smith & Adams (1980).

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