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Table 1
Maxima of the absorption bands observed in the FTIR spectra of the 365 nm + 2217 nm photolyzed CH2CHCHO/Cl2/para-H2 matrices and the corresponding computed values.
| Species | Assignment | para-H2 | Computational data | Literature | data | Refs. [Add. refs.] |
|---|---|---|---|---|---|---|
| (cm−1) | (cm−1; km mol−1) | (cm−1) | ||||
| Identified species | ||||||
| •CH2CHCO | CH2 a-str (a′) | 3143.7 | 3130.5 (2.2) | 3143.6 | Das & Lee (2013) (para-H2) | |
| CH2 s-str (a′) | 3056.9 | 3052.2 (3.9) | 3057.0 | |||
| CHβ str (a′) | 3047.9 | 3015.6 (7.7) | 3048.0 | |||
| 3045.4 | ||||||
| 3041.5 | ||||||
| COstr (a′) | 2102.9 | 2132.2 (556.2) | 2103.1 | |||
| 2096.4 | ||||||
| 2094.6 | ||||||
| CH2 ip-bend (a′) | 1092.3 | 1076.9 (4.2) | 1092.8 | |||
| CHβ op-bend (a″) | 692.0 | 700.0 (36.5) | 691.0 | |||
| trans-CH2CH•CO | COstr (a′) | 1829.9 | 1864.9 (198.0) | 1832.0 | Baskir & Nefedov (1996) (Ar) | |
| 1828.8 | 1823.1 | |||||
| CH3CHCO | COstr (a′) | 2129.3 | 2165.8 (594.6) | 2129.2 | Das & Lee (2013) (para-H2) | |
| 2126.3 | [Johnstone & Sodeau 1992] | |||||
| [Winter et al. 1998] | ||||||
| cis-CH3CH2CHO | COstr (a′) | 1756.1 | 1778.2 (128.2) | 1749.0 | Yan et al. (2023) (para-H2) | |
| 1749.1 | [Guirgis et al. 1998] | |||||
| [Köroğlu et al. 2015] | ||||||
| Tentatively identified species | ||||||
| trans-CH3•CHCHO | COstr (a′) | 1543.2 | 1535.2 (57.9) | – | – | |
| CH2 scis (a′) | 1457.3 | 1453.0 (11.2) | ||||
| CCHbend (a′) | 1401.0 | 1399.7 (16.1) | ||||
| CH3 s-str (a′) | 1369.6 | 1368.5 (11.0) | ||||
| trans-•CH2CH2CHO | COstr (a′) | 1769.1 | 1777.9 (199.7) | – | – | |
| syn-trans-CH2CH•CHOH | OHstr (a′) | 3619.6 | 3601.9 (35.8) | – | – | |
| Unassigned features: 1778.7, 1552.3, 1481.2, 1170.7, 1105.7, 969.1 | ||||||
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