- Formula: C4H2
- Molecular weight: 50.0587
- IUPAC Standard InChI:
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- IUPAC Standard InChIKey: LLCSWKVOHICRDD-UHFFFAOYSA-N
- CAS Registry Number: 460-12-8
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: Butadiyne; Biacetylene; Biethynyl; Diacetylene; HC«equiv»CC«equiv»CH; buta-1,3-diyne
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Vibrational and/or electronic energy levels
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Data compiled by: Takehiko Shimanouchi
Symmetry: Dh Symmetry Number = 2
|Species||type of mode||Value||Rating||Value||Phase||Value||Phase|
|«sigma»g+||1||CH str||3293||D||ia||3293 VW||liq.|
|«sigma»g+||2||C«equiv»C str||2184||C||ia||2184 VS||gas|
|«sigma»g+||3||C-C str||874||C||ia||874 W||gas|
|«sigma»u+||4||CH str||3329||C||3329 VS||gas||ia|
|«sigma»u+||5||C«equiv»C str||2020||C||2020 M||gas||ia|
|«pi»g||6||CH bend||627||C||ia||627 M||gas|
|«pi»g||7||CCC bend||482||C||ia||482 S||gas|
|«pi»u||8||CH bend||630||B||630 VS||gas||ia|
|«pi»u||9||CCC bend||231||E||ia||231 VW||liq.|
Source: Shimanouchi, 1972
|B||1~3 cm-1 uncertainty|
|C||3~6 cm-1 uncertainty|
|D||6~15 cm-1 uncertainty|
|E||15~30 cm-1 uncertainty|
Go To: Top, Vibrational and/or electronic energy levels, Notes
Shimanouchi, T., Tables of Molecular Vibrational Frequencies Consolidated Volume I, National Bureau of Standards, 1972, 1-160. [all data]
Go To: Top, Vibrational and/or electronic energy levels, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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