Nature of the Carbon-Sulfur Bond in the Species H-CS-OH
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Updated: Mar 29, 2026

Preparation of Large-area Vertical 2D Crystal Hetero-structures Through the Sulfurization of Transition Metal Films for Device Fabrication
Published on: November 28, 2017
1Department of Chemistry, Imperial College London, South Kensington Campus, London, SW7 2AZ, United Kingdom.
Abstract:
A QTAIM (Quantum-Theory-Atoms-in-Molecules) and ELF (electron localization function) topological analysis of the bonding in the recently reported molecule HCSX, X = OH reveals that the central carbon-sulfur bond is highly tunable, from having triple character at one limit to being almost a single bond at the other depending on the nature of the group X.
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