(2H)formaldehyde
- Formula: CD2O
- Molecular weight: 32.0383
- CAS Registry Number: 1664-98-8
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Gas phase ion energetics data
Go To: Top, Vibrational and/or electronic energy levels, References, Notes
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
Go To: Top, Gas phase ion energetics data, References, Notes
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, 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
Go To: Top, Gas phase ion energetics data, Vibrational and/or electronic energy levels, References
- Symbols used in this document:
AE Appearance energy - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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