Vibrational properties of isotopically enriched materials: the case of calcite.

ABSTRACT: Isotope enrichment is widely used to affect atomic masses, facilitating data acquisition and peak assignments in experiments such as nuclear magnetic resonance and infrared spectroscopy. It is also used for elucidating the origin of weak features in systems where natural isotopic abundances are low. However, it is not possible to always know a priori precisely how vibrational modes change for arbitrary levels of isotopic substitution. Here, we examine this issue by presenting a joint experimental and theoretical study for the important case of ¹³C isotope substitution effects on the infrared spectra of calcite. By systematically varying the ¹³C : ¹²C ratio, we find that the relative positions and intensities of infrared-active vibrational modes can v

SUBMITTER: Xu B 

PROVIDER: S-EPMC9086702 | biostudies-literature | 2018 Sep

REPOSITORIES: biostudies-literature