{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,12,10]],"date-time":"2025-12-10T12:34:22Z","timestamp":1765370062370,"version":"3.41.2"},"reference-count":72,"publisher":"Frontiers Media SA","license":[{"start":{"date-parts":[[2022,9,23]],"date-time":"2022-09-23T00:00:00Z","timestamp":1663891200000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"publisher","award":["21773251 21973098 22003068"],"award-info":[{"award-number":["21773251 21973098 22003068"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100005089","name":"Beijing Municipal Natural Science Foundation","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100005089","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100004739","name":"Youth Innovation Promotion Association of the Chinese Academy of Sciences","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100004739","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["frontiersin.org"],"crossmark-restriction":true},"short-container-title":["Front. Chem."],"abstract":"<jats:p>Laser cooling molecules to the ultracold regime is the prerequisite for many novel science and technologies. It is desirable to take advantage of theoretical approaches to explore polyatomic molecular candidates, which are capable of being cooled to the ultracold regime. In this work, we explore two polyatomic candidates, CaNC and SrNC, which are suitable for laser cooling. These molecules possess impressively large permanent dipole moments (\u223c6 Debye), which is preferred for applications using an external electric field. High-level ab initio calculations are carried out to reveal electronic structures of these molecules, and the calculated spectroscopic constants agree very well with the available experimental data. For each molecule, the Franck-Condon factor matrix is calculated and shows a diagonal distribution. The radiative lifetimes for CaNC and SrNC are estimated to be 15.5 and 15.8\u00a0ns, respectively. Based upon the features of various electronic states and by choosing suitable spin-orbit states, we construct two feasible laser cooling schemes for the two molecules, each of which allows scattering nearly 10000 photons for direct laser cooling. These indicate that CaNC and SrNC are excellent ultracold polyatomic candidates with strong polarity.<\/jats:p>","DOI":"10.3389\/fchem.2022.1009986","type":"journal-article","created":{"date-parts":[[2022,9,23]],"date-time":"2022-09-23T10:10:52Z","timestamp":1663927852000},"update-policy":"https:\/\/doi.org\/10.3389\/crossmark-policy","source":"Crossref","is-referenced-by-count":5,"title":["Production of ultracold polyatomic molecules with strong polarity by laser cooling: A detailed theoretical study on CaNC and SrNC"],"prefix":"10.3389","volume":"10","author":[{"given":"Wensha","family":"Xia","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Jianwei","family":"Cao","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Qing","family":"Lu","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Wensheng","family":"Bian","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"1965","published-online":{"date-parts":[[2022,9,23]]},"reference":[{"key":"B1","doi-asserted-by":"publisher","first-page":"031022","DOI":"10.1103\/physrevx.10.031022","article-title":"Molecular asymmetry and optical cycling: Laser cooling asymmetric top molecules","volume":"10","author":"Augenbraun","year":"2020","journal-title":"Phys. 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