Abstract
Hydroxymethoxycarbene, CH3OC¨OH, was produced via pyrolysis of monomethyl oxalate and subsequently isolated in 4He nanodroplets. Infrared laser spectroscopy reveals two rotationally resolved a,b-hybrid bands in the OH-stretch region, which are assigned to trans,trans- and cis,trans-rotamers. Stark spectroscopy of the trans,trans-OH stretch band provides the a-axis inertial component of the dipole moment, namely μa=0.62(7)D. The computed equilibrium dipole moment agrees well with the expectation value determined from experiment, consistent with a semi-rigid CH3OC¨OH backbone computed via a potential energy scan at the B3LYP/cc-pVTZ level of theory, which reveals substantial conformer interconversion barriers of ≈17kcal/mol.
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