We present quantum mechanical wave packet calculations for the vibrational predissociation of cis‐CH3ONO in the S1 state including three degrees of freedom—the CH3O–NO dissociation bond, the N=O stretching coordinate, and the CH3O–N–O bending angle. We calculate the autocorrelation function, the absorption spectrum, the lifetimes of the excited complex as a function of the internal excitation, and the final vibrational‐rotational state distributions of the NO fragment. The lifetimes and the product state distributions are compared with experimental data as well as with previous results obtained from classical trajectory calculations. The calculated vibrational state distributions of the NO product satisfactorily reproduce the systematic variation with the initially prepared quasibound state of the CH3ONO(S1) complex found experimentally; however, they are considerably narrower than the experimental distributions. The theoretical rotational state distributions of NO, all being highly inverted and having th...

The vibrational predissociation of cis‐methyl nitrite in the S1 state: A comparison of exact quantum mechanical wave packet calculations with classical trajectory calculations and detailed experimental results

Photofragment vector correlations measured by sub-doppler 2+1 laser-induced fluorescence spectroscopy

Applications of Doppler Spectroscopy to Photofragmentation

Photofragment yield spectra of methyl nitrite in a supersonic jet

Doppler spectroscopy of the 16OH and 18OH products of the 16O(1D)+H218O reaction reveals marked c.m. reactive scattering anisotropy: 16OH scatters in the hemisphere containing the 16O‐atom velocity vector. Internal energies of geminate OH fragments are correlated: fragments of high internal energy form with cofragments of low internal energy.

Product kinetic energies, correlations, and scattering anisotropy in the bimolecular reaction O(1D)+H2O→2OH

The theoretical framework needed to analyse sub-Doppler lineshapes obtained by 2 + 1 LIF spectroscopy is outlined and applied to data for the state-selected photodissociation of cis-methyl nitrite (CH3ONO). Excitation into the second overtone of the terminal NO stretch (ν′= 2) produces NO fragments with zero, one or two vibrational quanta and a highly correlated set of vector properties. These vector properties can be quantified in terms of five bipolar moments, which include the rotational alignment, the translational anisotropy parameter, the second Legendre moment of the (v, j) correlation and tow moments which characterise the three-vector (µ,ν,j) correlation [β20(22) and β20(24)]. In principle, these bipolar moments can be used to separate the dissociation dynamics into the influence of a dissociation lifetime and a dissociation geometry. The experimental evidence for the photolysis of methyl nitrite implies an essentially planar dissociation geometry leading to a strong perpendicular (ν, j) correlation [β00(22)=–0.34 ± 0.05]. The slight deviation from complete planarity is probably caused by torsional forces. The dissociation lifetime derived from the value of the translational anisotropy parameter appears to be a function of the fragment vibrational level. A simple model which explains many of the observations is presented and discussed in the light of preliminary classical trajectory calculations.

Vector correlations from doppler–broadened lineshapes. State-selected dissociation of methyl nitrite

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Vector correlations from doppler–broadened lineshapes. State-selected dissociation of methyl nitrite