Rotational spectrum, structure and modeling of an isomer of the HCCH–OCS dimer
Chemical Physics Letters, ISSN: 0009-2614, Vol: 312, Issue: 5, Page: 357-361
1999
- 20Citations
- 5Captures
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Article Description
A second T-shaped isomer of the HCCH–OCS dimer has been observed by Fourier-transform microwave spectroscopy. This isomer has the OCS monomer interacting with the triple bond of the acetylene monomer through the sulfur atom, with a calculated center of mass separation, R CM, of 4.622(2) Å. The effects of nuclear spin statistics on the relative intensities of the transitions confirm the C 2v symmetry of the complex. The dipole moment, μ a =0.9516(8) D, indicates an induced moment of 0.24 D. The geometry is consistent with results from a semi-empirical model and ab initio calculations which suggest that this isomer is higher in energy than the near-parallel HCCH–OCS isomer.
Bibliographic Details
http://www.sciencedirect.com/science/article/pii/S0009261499010118; http://dx.doi.org/10.1016/s0009-2614(99)01011-8; http://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=0010997417&origin=inward; http://linkinghub.elsevier.com/retrieve/pii/S0009261499010118; http://api.elsevier.com/content/article/PII:S0009261499010118?httpAccept=text/xml; http://api.elsevier.com/content/article/PII:S0009261499010118?httpAccept=text/plain; https://linkinghub.elsevier.com/retrieve/pii/S0009261499010118; https://api.elsevier.com/content/article/PII:S0009261499010118?httpAccept=text/xml; https://api.elsevier.com/content/article/PII:S0009261499010118?httpAccept=text/plain; http://dx.doi.org/10.1016/s0009-2614%2899%2901011-8; https://dx.doi.org/10.1016/s0009-2614%2899%2901011-8
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