(2H)formaldehyde
- Formula: CD2O
- Molecular weight: 32.0383
- CAS Registry Number: 1664-98-8
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Gas phase ion energetics data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
View reactions leading to CD2O+ (ion structure unspecified)
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 10.9076 ± 0.0030 | PE | Niu, Shirley, et al., 1993 | LL |
| 10.901 ± 0.006 | S | Drury-Lessard and Moule, 1977 | LLK |
| 10.904 | PE | Baker, Baker, et al., 1968 | RDSH |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| CDO+ | 13.10 ± 0.12 | D | EI | Reed, 1956 | RDSH |
| CO+ | 18.8 ± 0.3 | ? | EI | Brand and Reed, 1957 | RDSH |
Vibrational and/or electronic energy levels
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Takehiko Shimanouchi
Symmetry: C2ν Symmetry Number σ = 2
| Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
|---|---|---|---|---|---|---|---|---|---|---|
| Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
| a1 | 1 | CD2 s-str | 2056 | D | 2056.4 S | gas | FR(2ν3) | |||
| a1 | 2 | CO str | 1700 | B | 1700 VS | gas | ||||
| a1 | 3 | CD2 scis | 1106 | C | 1106.0 S | gas | ||||
| b1 | 4 | CD2 a-str | 2160 | C | 2160.3 VS | gas | ||||
| b1 | 5 | CD2 rock | 990 | C | 990.2 S | gas | ||||
| b2 | 6 | CD2 wag | 938 | E | 938 S | gas | ||||
Source: Shimanouchi, 1972
Notes
| VS | Very strong |
| S | Strong |
| FR | Fermi resonance with an overtone or a combination tone indicated in the parentheses. |
| B | 1~3 cm-1 uncertainty |
| C | 3~6 cm-1 uncertainty |
| D | 6~15 cm-1 uncertainty |
| E | 15~30 cm-1 uncertainty |
References
Go To: Top, Gas phase ion energetics data, Vibrational and/or electronic energy levels, NIST Free Links, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Niu, Shirley, et al., 1993
Niu, B.; Shirley, D.A.; Bai, Y.,
High resolution photoelectron spectroscopy and femtosecond intramolecular dynamics of H2CO+ and D2CO+,
J. Chem. Phys., 1993, 98, 4377. [all data]
Drury-Lessard and Moule, 1977
Drury-Lessard, C.R.; Moule, D.C.,
The higher Rydberg states of formaldehyde,
Chem. Phys. Lett., 1977, 47, 300. [all data]
Baker, Baker, et al., 1968
Baker, A.D.; Baker, C.; Brundle, C.R.; Turner, D.W.,
The electronic structures of methane, ethane, ethylene and formaldehyde studied by high-resolution molecular photoelectron spectroscopy,
Intern. J. Mass Spectrom. Ion Phys., 1968, 1, 285. [all data]
Reed, 1956
Reed, R.I.,
Studies in electron impact methods. Part 1.- Formaldehyde, deuteroformaldehyde, and some related compounds,
J. Chem. Soc. Faraday Trans., 1956, 52, 1195. [all data]
Brand and Reed, 1957
Brand, J.C.D.; Reed, R.I.,
The electronic spectrum of formaldehyde. Part II. Mechanisms of dissociation of formaldehyde and the formaldehyde molecular ion,
J. Chem. Soc., 1957, 2386. [all data]
Shimanouchi, 1972
Shimanouchi, T.,
Tables of Molecular Vibrational Frequencies Consolidated Volume I, National Bureau of Standards, 1972, 1-160. [all data]
Notes
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- Symbols used in this document:
AE Appearance energy - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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