{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,17]],"date-time":"2026-10-17T01:36:31Z","timestamp":1792200991602,"version":"4.4.0"},"reference-count":45,"publisher":"AIP Publishing","issue":"14","content-domain":{"domain":["pubs.aip.org"],"crossmark-restriction":true},"short-container-title":[],"published-print":{"date-parts":[[2006,4,14]]},"abstract":"<jats:p>Femtosecond degenerate four-wave mixing (fs-DFWM) rotational coherence spectroscopy (RCS) has been used to determine the rotational and centrifugal distortion constants of the 0000 ground and 0101 vibrationally excited states of gas-phase CS2. RCS transients were recorded over the 0\u20133300ps optical delay range, allowing the observation of 87 recurrences. The fits yield rotational constants B0000=3.2715492(18)GHz for C12S232 and B0000=3.17506(21)GHz for the C12S32S34 isotopomer. The rotational constants of the degenerate 0101 bending level of C12S232 are B0101=3.27672(40) and 3.27903(40)GHz for the e and f substrates, respectively. These fs-DFWM rotational constants are ten times more accurate than those obtained by CO2 laser\/microwave heterodyne measurements and are comparable to those obtained by high-resolution Fourier transform infrared spectroscopy. Ab initio calculations were performed at two levels, second-order M\u00f8ller-Plesset theory and coupled-cluster singles, doubles, and iterative triples [CCSD(T)]. The equilibrium and vibrationally averaged C\ue5fbS distances were calculated using large Dunning basis sets. An extrapolation procedure combining the ab initio rotational constants with the experiment yields an equilibrium C\ue5fbS bond length of 155.448pm to an accuracy of \u00b120fm. The theoretical C\ue5fbS bond length obtained by a complete basis set extrapolation at the CCSD(T) level is re(C\ue5fbS)=155.579pm, or 0.13pm longer than that in the experiment.<\/jats:p>","DOI":"10.1063\/1.2186642","type":"journal-article","created":{"date-parts":[[2006,4,11]],"date-time":"2006-04-11T22:13:38Z","timestamp":1144793618000},"update-policy":"https:\/\/doi.org\/10.1063\/aip-crossmark-policy-page","source":"Crossref","is-referenced-by-count":36,"title":["Femtosecond degenerate four-wave mixing of carbon disulfide: High-accuracy rotational constants"],"prefix":"10.1063","volume":"124","author":[{"given":"Dominique S.","family":"Kummli","sequence":"first","affiliation":[{"name":"Universit\u00e4t Bern Departement f\u00fcr Chemie und Biochemie, , Switzerland"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Hans M.","family":"Frey","sequence":"additional","affiliation":[{"name":"Universit\u00e4t Bern Departement f\u00fcr Chemie und Biochemie, , Switzerland"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Samuel","family":"Leutwyler","sequence":"additional","affiliation":[{"name":"Universit\u00e4t Bern Departement f\u00fcr Chemie und Biochemie, , Switzerland"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"317","published-online":{"date-parts":[[2006,4,13]]},"reference":[{"key":"2023080120174023900_c1","doi-asserted-by":"publisher","first-page":"2460","DOI":"10.1063\/1.452099","volume":"86","year":"1987","journal-title":"J. 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