{"doi":"10.1021/acs.jpclett.0c01554","title":"Effects of Temperature on Cs<sup>+</sup>(H<sub>2</sub>O)<sub>20</sub> Clathrate Structure","abstract":"Clusters consisting of 20 water molecules and a single cesium ion are especially stable due to their clathrate structure that is composed exclusively of three-coordinate water molecules. Clathrate stability was investigated using infrared photodissociation (IRPD) spectroscopy in the free-OH stretching region (∼3600–3800 cm–1) at ion cell temperatures between 135 and 355 K. At 275 K and colder, IRPD spectra of Cs+(H2O)20 have just one acceptor–acceptor–donor band. At higher temperatures, a higher-energy acceptor–donor band emerges and grows in intensity. Non-clathrate Na+(H2O)20 structures contain both of these bands, which do not change significantly in intensity over the temperature range. These results indicate a rapid onset in the conversion from clathrate to non-clathrate structures with temperature and suggest that some clathrate population remains even at the highest temperatures investigated. These results provide new insights into the role of entropy in clathrate stability.","journal":"The Journal of Physical Chemistry Letters","year":2020,"id":109481,"datarank":0.0,"base_score":0.0,"endowment":0.0,"self_citation_contribution":0.0,"citation_network_contribution":0.0,"self_endowment_contribution":0.0,"citer_contribution":0.0,"corpus_percentile":null,"corpus_rank":null,"citation_count":10,"citer_count":0,"citers_with_citation_signal":0,"citers_with_endowment":0,"datacite_reuse_total":0,"is_dataset":false,"is_dataset_confidence":0.9629,"is_data_producer":false,"deposit_databanks":null,"is_oa":false,"file_count":0,"downloads":0,"has_version_chain":false,"published_date":"2020-01-01","fair_score":null,"fair_percentile":null,"algorithm_id":"datarank_citation_only_1hop_v6","ranking_scope":"data_only","authors":[{"id":522244,"name":"Evan R. Williams","orcid":"0000-0002-1733-3018","position":1,"is_corresponding":false},{"id":522243,"name":"Christiane N. Stachl","orcid":"0000-0001-7237-9273","position":0,"is_corresponding":true}],"reference_count":52,"raw_metadata":null,"created_at":"2026-07-18T23:12:50.712357Z","pmid":"32633968","pmcid":null,"fwci":null,"citation_percentile":null,"influential_citations":0,"oa_status":null,"license":null,"views":0,"total_file_size_bytes":0,"version_count":0,"fair_f":null,"fair_a":null,"fair_i":null,"fair_r":null,"fair_zscore":null,"fair_rationale":null,"fair_model":null,"fair_agent_version":null,"fair_fulltext_source":null,"fair_has_llm":null,"fair_computed_at":null,"clinical_trials":[],"software_tools":[],"db_accessions":[],"linked_datasets":[],"topics":[]}