Infrared spectra of p-, m- and o-fluorobenzaldehyde in low temperature argon matrices

Conformational and Vibrational Analysis of 2,4-, 2,5- and 2,6-Difluorobenzaldehydes by ab initio Hartree-Fock and Density Functional Theory Calculations

“…The calculated vibrations are scaled, and the symmetry species of all the vibrations are written in the first column of the tables. Since there are no reported assignments of the IR spectra of the DFBs we have used the assignments of fluorobenzaldehydes as proof [6]. The proposed vibrational assignments in the tables mostly correspond to the assignments given in the reference.…”

“…Difluorobenzaldehydes can be used as starting substrates in the synthesis of bioactive materials which are for example efficient pesticides and medicines [5]. Itoh et al have investigated the three structural isomers of fluorobenzaldehydes (p-, m-and o-forms) in detail with matrix isolation infrared (IR) spectroscopy and density functional theory (DFT) calculations, and they have identified two planar rotomers (syn and anti) for m-and o-fluorobenzaldehydes [6]. Many studies have been focused on the identification of these two rotomers [7 -11].…”

Spectroscopy and dynamics of the excited singlet and triplet states of 2,3-, 2,4- and 2,5-difluorobenzaldehyde vapors

“…We have recently shown for mono-substituted benzaldehydes that the rotational isomers are separable through the phosphorescence measurements and determined the absolute energy levels of the two rotational isomers of 3-fluorobenzaldehyde vapor in the ground and first excited triplet states by means of emission and infrared spectroscopy [2,3]. However, at present the emission and absorption spectral data are not available for 2,3-, 2,4-and 2,5-difluorobenzaldehyde vapors.…”

1H and 13C NMR assignments of all three isomeric o‐fluoronaphthaldehydes and three o‐fluorophenanthrene aldehydes

“…1) for all aldehydes, in which a combination of hydrogen bonding between the fluorine atom and the formyl hydrogen and F -O repulsion strongly favors this geometry. This isomerism has previously been studied in o-FB by many analytical techniques including not only NMR [5] but also infrared [6] and microwave spectroscopy. [7] In each case, the O-trans form was found to be favored, and the current results are in concert with these findings.…”