Electronic spectroscopy of cationic adamantane clusters and dehydrogenated adamantane in helium droplets

We report the first helium-tagged electronic spectra of cationic adamantane clusters, along with its singly, doubly, and triply dehydrogenated analogues embedded in helium droplets. Absorption spectra were measured by recording the evaporation of helium atoms as a function of laser wavelength in the range of 300-2150 nm. Experimental spectra are coupled with simulated spectra obtained from quantum chemical calculations. The spectrum of cationic adamantane agrees with the electronic photodissociation spectrum measured previously, with an additional low-energy absorption at around 1000 nm. The spectra of the dehydrogenated molecules present broad absorptions exclusively in the high-energy region (300-600 nm). For the higher order adamantane dimer and trimer ions, strong absorptions are observed in the low-energy region (900-2150 nm), rationalised by transitions delocalised over two adamantane units.

Automated summary

The study presents the electronic spectra of helium-tagged cationic adamantane clusters and their dehydrogenated analogues. Experimental absorption spectra are compared with simulated spectra obtained through quantum chemical calculations. The results provide insights into the optical properties of these molecules.