In database:

530-6500 cm-1

160-240 nm

1,3-Butadiene (CH₂CHCHCH₂)
Molecular weight 54.0914
Freezing point: -108.9 C
Boiling point: -4.5 C

Infrared cross-sections from PNNL
FTIR infrared cross-sections from 530 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

UV cross-sections
Please see The MPI-Mainz UV/VIS Spectral Atlas

Additional References
Rotational Analysis of Several Bands in the High-Resolution Infrared Spectrum of Butadiene-1-¹³C₁: Assignment of Vibrational Fundamentals; N.C. Craig, K.A. Hanson, M.C. Moore, and R.L. Sams; J. Mol. Struct. 742:21-29 (2005).

Analysis of the Rotational Structure in Bands in the High Resolution Infrared Spectra of Butadiene and Butadiene-2,3-d₂: Refinement in Assignments of Fundamentals; N.C. Craig, J.L. Davis, K.A. Hanson, M.C. Moore, K.J. Weidenbaum, and M. Lock; J. Mol. Struct. 695-696:59-69 (2004).

Notes
Vibrational bands from NIST Chemistry Webbook and Craig et al. (shown as NIST/Craig below)
n₁ 3087/3100.3 cm^-1 (ag) CH₂ a-stretch
n₂ 3003/ cm^-1 (ag) CH stretch
n₃ 2992/3013.0 cm^-1 (ag) CH₂ s-stretch
n₄ 1630/1643.9 cm^-1 (ag) C=C stretch
n₅ 1438/1440.8 cm^-1 (ag) CH₂ scissor
n₆ 1280/1291 cm^-1 (ag) CH bend
n₇ 1196/1203.0 cm^-1 (ag) C-C stretch
n₈ 894/887.8 cm^-1 (ag) CH₂ rock
n₉ 512/211.6 cm^-1 (ag) CCC deform
n₁₀ 1013/1013.8 cm^-1 (au) CH bend
n₁₁ 908/908.0 cm^-1 (au) CH₂ wag
n₁₂ 522/524.5 cm^-1 (au) CH₂ twist
n₁₃ 162/162.5 cm^-1 (au) C-C torsion
n₁₄ 976/965.4 cm^-1 (bg) CH bend
n₁₅ 912/908.0 cm^-1 (bg) CH₂ wag
n₁₆ 770/751.9 cm^-1 (bg) CH₂ twist
n₁₇ 3101/3100.5 cm^-1 (bu) CH₂ a-stretch
n₁₈ 3055/3035 cm^-1 (bu) CH stretch
n₁₉ 2984/3011 cm^-1 (bu) CH₂ s-stretch
n₂₀ 1596/1596.446 cm^-1 (bu) C=C stretch
n₂₁ 1381/1380.8 cm^-1 (bu) CH₂ scissor
n₂₂ 1294/1281 cm^-1 (bu) CH bend
n₂₃ 990/990.2 cm^-1 (bu) CH₂ rock
n₂₄ 301/299 cm^-1 (bu) CCC deform

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