Experimental observation of TiN₁₂⁺ cluster and theoretical investigation of its stable and metastable isomers.

ABSTRACT: TiN _n⁺ clusters were generated by laser ablation and analyzed experimentally by mass spectrometry. The results showed that the mass peak of the TiN₁₂⁺ cluster is dominant in the spectrum. The TiN₁₂⁺ cluster was further investigated by photodissociation experiments with 266, 532 and 1064 nm photons. Density functional calculations were conducted to investigate stable structures of TiN₁₂⁺ and the corresponding neutral cluster, TiN₁₂. The theoretical calculations found that the most stable structure of TiN₁₂⁺ is Ti(N₂)₆⁺ with O_h symmetry. The calculated binding energy is in good agreement with that obtained from the

SUBMITTER: Ding KW 

PROVIDER: S-EPMC5500844 | biostudies-literature | 2015 Aug

REPOSITORIES: biostudies-literature