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Raman signal is monitored after 248 nm photodissociation of formaldehyde in solid Ar at temperaturesof 9–30 K. Rotational transitions J = 2 ← 0 for para-H2 fragments and J = 3 ← 1 for ortho-H2are observed as sharp peaks at 347.2 cm−1 and 578.3 cm−1, respectively, which both are accompaniedby a broader shoulder band that shows a split structure. The rovibrational spectrum of CO fragmentshas transitions at 2136.5 cm−1, 2138.3 cm−1, 2139.9 cm−1, and 2149 cm−1. To explain the observations,we performed adiabatic rotational potential calculations to simulate the Raman spectrum. Thesimulations indicate that the splitting of rotational transitions is a site effect, where H2 molecules canreside in a substitution site, in addition to an interstitial site. In the former site, rotational motion isunperturbed by the electrostatic field of the host atoms, while the latter site splits the excited rotationalmanifolds, J = 2 and 3, into doublet and triplet structures, respectively. For CO, the spectrumcan be ascribed to monomeric species in single- and double-substitution sites, to a dimeric species(CO)2, and to a CO–H2O complex. The simulations show that a nearest-neighbor molecular complexCO–H2 is not responsible for any of the observed spectral fingerprints. The cause of the exit of themolecular hydrogen from the initial cage can be traced to high translational energy of the fragmentafter the photodissociation. After the matrix has reached a thermal equilibrium, a diffusion drivenformation of the complex is possibly hindered by the high rotational zero-point energy developedupon complexation

Raman spectroscopy and crystal-field split rotational states of photoproducts CO and H2 after dissociation of formaldehyde in solid argon