In database:

550-6500 cm-1

Allene (CH₂CCH₂) (propadiene)
Molecular weight 40.0646 g/mole
Freezing point -136.5 C
Boiling point -34.5 C

Infrared cross-sections from PNNL
FTIR infrared cross-sections from 550 to 6500 cm^-1
Data available at 5 C, 25 C, and 50 C
Spectra is composite of on the order of 10 different pressures,backfilled with nitrogen to 760 T.
Images of PNNL data in cm²/molecule vs. wavenumbers
Images of PNNL data in cm²/molecule vs. microns

Other References
High Resolution Infrared Study of the n₁₁ Band of Allene; S. Nissen, F. Hegelund, M.S. Johnson, and B. Nelander; J.Mol.Spec. 216:197-202 (2002).
Figs. 1 and 3 showing data around 342 and 345 cm^-1

Allene n₉ and n₁₀: Low-Temperature Measurements of Line Intensity; W.F. Wang, J.M. Sirota, and D.C. Reuter; J.Mol.Spec. 194:256-268 (1999).
Figs. 1 and 2 showing data around 1002 and 887 cm^-1

Notes
Fundamental frequencies from NIST Chemistry Webbook
n₁ 3015 cm^-1 (a₁) CH₂ stretch
n₂ 1443 cm^-1 (a₁) CH₂ scis
n₃ 1073 cm^-1 (a₁) CC stretch
n₄ 865 cm^-1 (b₁) CH₂ twist
n₅ 3007 cm^-1 (b₂) CH₂ stretch
n₆ 1957 cm^-1 (b₂) CC stretch
n₇ 1398 cm^-1 (b₂) CH₂ scis
n₈ 3086 cm^-1 (e) CH₂ stretch
n₉ 999 cm^-1 (e) CH₂ rock
n₁₀ 841 cm^-1 (e) CH₂ wag
n₁₁ 355 cm^-1 (e) CCC deform



List of available data for all molecules in database
Return to front page