The HNCO heat of formation and the N–H and C–N bond enthalpies from initial state selected photodissociation

Abstract

Articles you may be interested inToward subchemical accuracy in computational thermochemistry: Focal point analysis of the heat of formation of NCO and [H,N,C,O] isomers

Mass spectrometric fragmentation pathways of isotope labeled 2,5-disubstituted-1,3,4-oxadiazoles and thiadiazoles

“…Although the isothiocyanic acid is thermodynamically more stable than isocyanic acid [11][12][13], the rearrangement discussed is less efficient for thiadiazoles than for oxadiazoles. It seems to be reasonable to assume, that other directions of fragmentation pathway observed for 3, shown in Fig.…”

State-resolved translation energy distributions for NCO photodissociation

“…[3][4][5] A more direct measurement from the fast radical beam photodissociation experiments by Cyr et al 6 yielded ⌬H f ,0 0 ͑NCO͒ϭ1.32Ϯ0.04 eV. Corroboration of this lower value has come from subsequent theoretical 7 and experimental [8][9][10] investigations. However, a recent VUV photolysis study 11 has raised the issue again.…”

Photofragment spectroscopy of covalently bound transition metal complexes: a window into C–H and C–C bond activation by transition metal ions

“…These studies seek to determine the structure and bonding of the intermediates and to elucidate the mechanism of ligand activation by the metal centre. We will also continue to explore stimulated Raman excitation to prepare vibrationally excited molecules [148,149] in order to study skeletal vibrations, which lie outside the range of the OPO/OPA. Vibrationally excited molecules will be detected by monitoring the dissociation of molecules 'tagged' with a weakly bound spectator molecule [150,151], or as a result of selective photodissociation of vibrationally excited molecules (vibrationally mediated photodissociation) [148,152].…”