Disorder Analysis in Infrared Spectroscopy of Acetylene Ice.

ABSTRACT: A new method to investigate disorder in ice films is proposed and applied to acetylene ice. It is based on a quantitative analysis of the infrared spectrum data, which includes: the Brendel-Bormann model for the material's dielectric function; molecular vibration modes calculated by density functional theory (DFT); a monomer-dimer model for amorphous ice; and a peak-shape analysis through Levenberg-Marquardt nonlinear regression. Acetylene ice films with different degrees of disorder were investigated with the proposed method. The results provide an estimate of the degree of disorder in the films and indicate the possibility of existence of a second amorphous phase of acetylene ice grown at temperatures of about 15 K and then annealed. This phase would be similar to the high-density amorph

SUBMITTER: Mello SLA 

PROVIDER: S-EPMC11372744 | biostudies-literature | 2024 Aug

REPOSITORIES: biostudies-literature