Chalcogen bonding is a noncovalent interaction, highly similar to halogen and hydrogen bonding, occurring between a chalcogen atom and a nucleophilic region. Two density functional theory (DFT) approaches B3LY‐D3 and B97‐D3 were performed on a series of complexes formed between CX2 (X = S, Se, Te) and diazine (pyridazine, pyrimidine and pyrazine). Chalcogen atoms prefer interacting with the lone pair of a nitrogen atom rather than with the π‐cloud of an aromatic ring. CTe2 and CSe2 form a stronger chalcogen bond than CS2. The electrostatic potential of CX2 (X = S, Se and Te) reveals the presence of two equivalent σ‐holes, one on each chalcogen atom. These CX2 molecules interact with diazine giving rise to supramolecular interactions. Wiberg bond index and second‐order perturbation theory analysis in NBO were performed to better understand the nature of the chalcogen bond interaction.
In this work, the transient thermal strains of high-performance concrete (HPC) under constant load and increasing temperatures up to 400°C in accidental conditions are studied experimentally. Heating is applied at a rate of 1·5°C/min until successive constant temperature levels are reached. These temperature stages are maintained for 24 h to ensure the stabilisation of internal temperature and the physico-chemical thermo-dependent process. The analysis of experimental measures is concentrated on the so-called transient thermal creep. Test results confirm the existence of transient thermal strains during heating even for small loads. The transient thermal creep (TTC) values were estimated for four temperature levels: 150, 200, 300 and 400°C.
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