{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,22]],"date-time":"2026-09-22T12:50:14Z","timestamp":1790081414616,"version":"4.0.1"},"reference-count":55,"publisher":"AIP Publishing","issue":"2","funder":[{"DOI":"10.13039\/501100000266","name":"Engineering and Physical Sciences Research Council","doi-asserted-by":"publisher","award":["EP\/G026424\/1"],"award-info":[{"award-number":["EP\/G026424\/1"]}],"id":[{"id":"10.13039\/501100000266","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["pubs.aip.org"],"crossmark-restriction":true},"short-container-title":[],"published-print":{"date-parts":[[2011,7,14]]},"abstract":"<jats:p>C2H4\u22efAg\u2212Cl has been synthesised in the gas phase in a pulsed-jet, Fourier-transform microwave spectrometer by the reaction of laser-ablated metallic silver with carbon tetrachloride to give AgCl, which subsequently reacts with ethene to give the complex. The ground-state rotational spectra of six isotopologues (C2H4\u22ef107Ag35Cl, C2H4\u22ef109Ag35Cl, C2H4\u22ef107Ag37Cl, C2H4\u22ef109Ag37Cl, 13C2H4\u22ef107Ag35Cl, and 13C2H4\u22ef109Ag35Cl) were recorded and analysed to give rotational constants A0, B0, and C0, centrifugal distortion constants \u0394J and \u0394JK, and Cl nuclear quadrupole coupling constants \u03c7aa(Cl) and \u03c7bb(Cl) \u2212 \u03c7cc(Cl). These spectroscopic constants were interpreted in terms of a geometry for C2H4\u22efAg\u2212Cl of C2V symmetry in which the AgCl molecule lies along the C2 axis of ethene that is perpendicular to the C2H4 plane. The Ag atom forms a bond to the midpoint (*) of the ethene \u03c0 bond. A partial rs-geometry and a r0-geometry were determined, with the values r(*\u22efAg) = 2.1719(9) \u00c5, r(C\u2212C) = 1.3518(4) \u00c5, and r(Ag\u2212Cl) = 2.2724(8) \u00c5 obtained in the latter case. The C\u2212C bond lengthens on formation of the complex. Detailed ab initio calculations carried out at the CCSD(T)\/cc-pVQZ level of theory give results in good agreement with experiment and also reveal that the ethene molecule undergoes a small angular distortion. The distortion is such that the four H atoms move in a direction away from Ag but remain coplanar. The two C atoms are no longer contained in this plane, however. The electric charge redistribution when C2H4\u22efAg\u2212Cl is formed and the strength of the \u03c0\u22efAg bond are discussed.<\/jats:p>","DOI":"10.1063\/1.3604821","type":"journal-article","created":{"date-parts":[[2011,7,14]],"date-time":"2011-07-14T22:46:56Z","timestamp":1310683616000},"update-policy":"https:\/\/doi.org\/10.1063\/aip-crossmark-policy-page","source":"Crossref","is-referenced-by-count":24,"title":["A prototype transition-metal olefin complex C2H4\u22efAgCl synthesised by laser ablation and characterised by rotational spectroscopy and <i>ab initio<\/i> methods"],"prefix":"10.1063","volume":"135","author":[{"given":"Susanna L.","family":"Stephens","sequence":"first","affiliation":[{"name":"University of Bristol School of Chemistry, , Bristol BS8 1TS, United Kingdom"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"David P.","family":"Tew","sequence":"additional","affiliation":[{"name":"University of Bristol School of Chemistry, , Bristol BS8 1TS, United Kingdom"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Victor A.","family":"Mikhailov","sequence":"additional","affiliation":[{"name":"University of Bristol School of Chemistry, , Bristol BS8 1TS, United Kingdom"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Nicholas R.","family":"Walker","sequence":"additional","affiliation":[{"name":"University of Bristol School of Chemistry, , Bristol BS8 1TS, United Kingdom"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Anthony C.","family":"Legon","sequence":"additional","affiliation":[{"name":"University of Bristol School of Chemistry, , Bristol BS8 1TS, United Kingdom"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"317","published-online":{"date-parts":[[2011,7,14]]},"reference":[{"key":"2023080303494495400_c1","doi-asserted-by":"publisher","first-page":"3320","DOI":"10.1063\/1.465141","volume":"99","year":"1993","journal-title":"J. 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