In database:
100-310 nm
Butadiyne (C4H2) (diacetylene)
Molecular weight 50.06 amu
Freezing point C
Boiling point: 11 C

UV cross-sections
From David Crisp, .1-.31 microns.
Images of UV data

Please see The MPI-Mainz UV/VIS Spectral Atlas

Additional references
Computational resolution enhancement: congested overtone spectrum of diacetylene, Metsala et al., Mol. Phys 101:629-635 (2003)
Figure 1 showing infrared spectra from 6350 to 6750 cm-1.

Absolute IR Band intensities of Diacetylene in the 250-4300 cm-1 Region: Implications for Titan's Atmosphere, Khlifi et al.,J.Mol.Spec. 174:116-122 (1995).
Figure 1 showing infrared spectrum from 400 to 4000 cm-1.

The Ultraviolet Photochemistry of Diacetylene: Direct Detection of Primary Products of the Metastable C4H2* + C4H2 Reaction; R.E. Bandy et al.; J.Chem.Phys. 98:5362-5374 (1993).
Figure 2 showing two-photon ionization spectrum from 41000 to 46000 cm-1.

Notes c4h2
Fundamental frequencies from NIST Chemistry Webbook
n1 3293 cm-1 (Sg+) CH stretch
n2 2184 cm-1 (Sg+) CC stretch
n3 874 cm-1 (Sg+) CC stretch
n4 3329 cm-1 (Su+) CH stretch
n5 2020 cm-1 (Su+) CC stretch
n6 627 cm-1 (pg) CH bend
n7 482 cm-1 (pg) CCC bend
n8 630 cm-1 (pu) CH bend
n9 231 cm-1 (pu) CCC bend

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