Formic Acid Vibrations

Data Vibrational wavenumbers (in cm-1)
Source several authors, compiled by Arman Nejad (see A. Nejad, "Vibrational dynamics of formic acid and its dimer: FTIR and Raman jet spectroscopy and theory", PhD thesis)
Short description The database comprises vibrational (J=0) energy levels of trans-formic acid (up to 4000 cm-1 above the vibrational ground state) and its higher-energy cis rotamer. The orientations refer to the relative positions of the hydrogen atoms about the C-O axis. This database contains energy levels of several isotopologues. For consistency, the established vibrational nomenclature of trans-HCOOH is transferred to all other isotopologues. Note that the vibrational labels for deuterated isotopologues might therefore deviate from the ones used in the literature. The selected data points can be downloaded further below in csv format.
Monomer vibrations
Dimer vibrations
Raman IR
ν(OH/D) ν1 Ag ν17 Bu
ν(CH/D) ν2 Ag ν18 Bu
ν(C=O) ν3 Ag ν19 Bu
δ(OH/D) ν4 Ag ν20 Bu
δ(CH/D) ν5 Ag ν21 Bu
ν(C-O) ν6 Ag ν22 Bu
δ(OCO) ν7 Ag ν23 Bu
Intermolecular, ν(OH/D…O) ν8 Ag
Intermolecular, δ(OH/D…O) ν9 Ag ν24 Bu
γ(CH/D) ν10 Bg ν13 Au
γ(OH/D) ν11 Bg ν14 Au
Intermolecular, γ(OH/D…O) ν12 Bg ν15 Au
Intermolecular, Twist ν16 Au

Formic Acid Vibrations Library


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