Initiating molecular growth in the interstellar medium via dimeric complexes of observed ions and molecules

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Volume 535 (November 2011)

A&A, 535 (2011) A74

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Table 1

Binding energies (in kcal mol^-1) of the dimer cations between (mostly) known interstellar molecules and cations are listed.

Figure	Reaction/Complex	B3LYP/cc-pVTZ	MP2/cc-pVTZ	MP2/aug-cc-pVTZ	CCSD(T)/cc-pVTZ	CCSD(T)/aug-cc-pVTZ

Fig. 1.A	C₂H₄+HCNH⁺ → [C₂H₄:HCNH]⁺	11.52	11.97	13.25	11.25	11.7
Fig. 1.B	C₂H₄+HCNH⁺ → [C₂H₄:HNCH]⁺	16.34	17.92	19.71	16.05	16.58
Fig. 1.C	C₂H₄+HCNH⁺ → [C₂H₄:HCNH]⁺, Boat	48.28	50.88	52.2	49.47	50.07
Fig. 1.D	C₂H₄+HCNH⁺ → [C₂H₄:HCNH]⁺, Bridge	7.88	1.66	3.16	1.82	1.96
Fig. 2.A	C₂H₄ + H₂CNH → [C₂H₄:H₂CNH	8.16	8.3	9.36	6.89	7.7
Fig. 2.B	C₂H₄ + H₂CNH → [C₂H₄:H₂CNH, Boat	26.00	36.11	38.85	31.1	32.01
Fig. 3.A	HCCH + HCNH⁺ → [HCCH:HCNH]⁺	11.49	8.51	12.56	11.06	11.53
Fig. 3.B	HCCH + HCNH⁺ → [HCCH:HCNH]⁺	15.93	10.62	18.49	15.55	16.08
Fig. 3.C	HCCH + HCNH⁺ → [HCCH:HCNH]⁺, Boat	19.13	15.7	16.68	20.28	20.75
Fig. 4	HCN+C₂H → [HCN:C₂H₃]⁺	72.01	66.2	71.57	68.81	68.38
Fig. 5.A	HCC⁺ + HCN → HCCHCN, Branched	125.93	125.62	134.41	154.13	154.3
Fig. 5.B	HCC⁺ + NCH → [HCCNCH]⁺, Linear	180.73	181.66	198.26	205.52	205.6
Fig. 6.A	HCCC⁺ + HCN → [HCCC(H)CN]⁺, Branched	42.09	38.25	40.42	38.48	38.7
Fig. 6.B	HCCC⁺ + HCN → [HCCCNCH]⁺, Linear	59.92	53.12	55.03	48.44	48.81

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