Abstract
Vibrationally resolved electronic absorption spectrum of 1,2-dihydrogenated[60]fullerene has been recorded in a 6 K neon matrix after mass-selected deposition of m/z = 722 cations produced from reaction of protonated methane and C60 in an ion source. One system has the origin band at 688.5 ± 0.1 nm and another commencing at 404.8 ± 0.1 nm. Theoretical computations were used to calculate the relative energies of three isomers of dihydrogenated[60]fullerene and time-dependent density functional theory predicted the vertical excitations to 50 electronic states.
Highlights
Fullerenes are spherical or ellipsoidal structures of pure carbon, such as C60, C70, and C84
Computational.—Equilibrium structures for different isomers of C60H2 were calculated with density functional theory (DFT) using B3LYP functional18.19 and cc-pVDZ basis set.[20]
The electronic spectrum of 1,2- dihydrogenated[60]fullerene (1,2C60H2) in a 6 K neon matrix is illustrated in Figures 1 and 2
Summary
Fullerenes are spherical or ellipsoidal structures of pure carbon, such as C60, C70, and C84. ISM would be ionized, being predicted first by Kroto.[11] Recently, it has been shown that C6+0 is the carrier of five astronomical absorption features, known as diffuse interstellar bands (DIBs).[12,13,14,15] It has been suggested that C6+0 may atomic hydrogen,[2] making C60Hn undergo ion-neutral reactions with + (n > 1) cations possible species in the ISM. These types of protonated species could be candidate molecules for the DIBs observed towards reddened stars. Mass-selective deposition of C60 H2+ was undertaken; electron recombination occurred with cations in the crystalline neon and only neutral C60H2 was observed
Sign-in/Register to view highlights & summary Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
