The Adamantaneland Revisited.

ABSTRACT: Diamondoids are a class of rigid, cage-like hydrocarbons found exclusively in petroleum on Earth, renowned for their exceptional thermal and thermodynamic stability. Their resistance to decomposition under geological conditions makes them valuable as geological markers. However, a limited understanding of the processes leading to their formation has hindered their broader application, particularly in comparison to conventional biomarkers. This study explores the formation pathways of the simplest diamondoid, adamantane, via a carbocationic mechanism originating from isomeric hydrocarbons. The thermodynamic stability of adamantane and the 1-adamantyl cation was assessed relative to their isomers using the M06-2X/cc-pVTZ level of theory. The results confirm that adamantane is the most stable

SUBMITTER: Silva PHA 

PROVIDER: S-EPMC12621239 | biostudies-literature | 2025 Nov

REPOSITORIES: biostudies-literature