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https://doi.org/10.1021/ic702128f
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dc.title | Coupling of CpCr(CO)3 and heterocyclic dithiadiazolyl radicals. Synthetic, X-ray diffraction, dynamic NMR, EPR, CV, and DFT studies | |
dc.contributor.author | Hiu, F.L. | |
dc.contributor.author | Ang, P.C.Y. | |
dc.contributor.author | Ng, V.W.L. | |
dc.contributor.author | Seah, L.K. | |
dc.contributor.author | Lai, Y.G. | |
dc.contributor.author | Borisov, A.S. | |
dc.contributor.author | Hazendonk, P. | |
dc.contributor.author | Roemmele, T.L. | |
dc.contributor.author | Boeré, R.T. | |
dc.contributor.author | Webster, R.D. | |
dc.date.accessioned | 2014-10-16T08:23:57Z | |
dc.date.available | 2014-10-16T08:23:57Z | |
dc.date.issued | 2008-01-21 | |
dc.identifier.citation | Hiu, F.L., Ang, P.C.Y., Ng, V.W.L., Seah, L.K., Lai, Y.G., Borisov, A.S., Hazendonk, P., Roemmele, T.L., Boeré, R.T., Webster, R.D. (2008-01-21). Coupling of CpCr(CO)3 and heterocyclic dithiadiazolyl radicals. Synthetic, X-ray diffraction, dynamic NMR, EPR, CV, and DFT studies. Inorganic Chemistry 47 (2) : 632-644. ScholarBank@NUS Repository. https://doi.org/10.1021/ic702128f | |
dc.identifier.issn | 00201669 | |
dc.identifier.uri | http://scholarbank.nus.edu.sg/handle/10635/93404 | |
dc.description.abstract | The reaction of the 1,2,3,5-dithiadiazolyls (4-R-C6H 4CN2S2)2 (R = Me, 2a; Cl, 2b; OMe, 2c; and CF3, 2d) and (3-NC-5-tBu-C6H 3CN2S2)2 (2e) with [CpCr(CO) 3]2 (Cp = η5-C5H5) (1) at ambient temperature respectively yielded the complexes CpCr(CO) 2(η2-S2N2CC6H 4R) (R = 4-Me, 3a; 4-Cl, 3b; 4-OMe, 3c; and 4-CF3, 3d) and CpCr(CO)2-(η2-S2N2CC 6H3-S-(CN)-5-(tBu)) (3e) in 35-72% yields. The complexes 3c and 3d were also synthesized via a salt metathesis method from the reaction of NaCpCr(CO)3 (1B) and the 1,2,3,5-dithiadiazolium chlorides 4-R-C6H4-CN2S2Cl (R = OMe, 8c; CF3, 8d) with much lower yields of 6 and 20%, respectively. The complexes were characterized spectroscopically and also by single-crystal X-ray diffraction analysis. Cyclic voltammetry experiments were conducted on 3a-e, EPR spectra were obtained of one-electron-reduced forms of 3a-e, and variable temperature 1H NMR studies were carried out on complex 3d. Hybrid DFT calculations were performed on the model system [CpCr(CO)2S 2N2CH] and comparisons are made with the reported CpCr(CO)2(π-allyl) complexes. © 2008 American Chemical Society. | |
dc.description.uri | http://libproxy1.nus.edu.sg/login?url=http://dx.doi.org/10.1021/ic702128f | |
dc.source | Scopus | |
dc.type | Article | |
dc.contributor.department | CHEMISTRY | |
dc.description.doi | 10.1021/ic702128f | |
dc.description.sourcetitle | Inorganic Chemistry | |
dc.description.volume | 47 | |
dc.description.issue | 2 | |
dc.description.page | 632-644 | |
dc.description.coden | INOCA | |
dc.identifier.isiut | 000252316800032 | |
Appears in Collections: | Staff Publications |
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