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	A_g	ν₁₇	B_u
ν(CH/D)	ν₂	A_g	ν₁₈	B_u
ν(C=O)	ν₃	A_g	ν₁₉	B_u
δ(OH/D)	ν₄	A_g	ν₂₀	B_u
δ(CH/D)	ν₅	A_g	ν₂₁	B_u
ν(C-O)	ν₆	A_g	ν₂₂	B_u
δ(OCO)	ν₇	A_g	ν₂₃	B_u
Intermolecular, ν(OH/D…O)	ν₈	A_g
Intermolecular, δ(OH/D…O)	ν₉	A_g	ν₂₄	B_u
γ(CH/D)	ν₁₀	B_g	ν₁₃	A_u
γ(OH/D)	ν₁₁	B_g	ν₁₄	A_u
Intermolecular, γ(OH/D…O)	ν₁₂	B_g	ν₁₅	A_u
Intermolecular, Twist			ν₁₆	A_u

Formic Acid Vibrations Library

data

conformer

isotopologue

Details

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