Please use this identifier to cite or link to this item:
https://doi.org/10.1016/S0022-2860(97)00305-0
DC Field | Value | |
---|---|---|
dc.title | Rotational isomerism and crystal structure of 1,1'-dicyano- 1,1'-bicyclooctyl | |
dc.contributor.author | Yong, K.S. | |
dc.contributor.author | Lam, Y.L. | |
dc.contributor.author | Koh, L.L. | |
dc.contributor.author | Huang, H.H. | |
dc.contributor.author | Lee, S.Y. | |
dc.date.accessioned | 2014-10-16T08:39:30Z | |
dc.date.available | 2014-10-16T08:39:30Z | |
dc.date.issued | 1998-02-03 | |
dc.identifier.citation | Yong, K.S., Lam, Y.L., Koh, L.L., Huang, H.H., Lee, S.Y. (1998-02-03). Rotational isomerism and crystal structure of 1,1'-dicyano- 1,1'-bicyclooctyl. Journal of Molecular Structure 442 (1-3) : 145-152. ScholarBank@NUS Repository. https://doi.org/10.1016/S0022-2860(97)00305-0 | |
dc.identifier.issn | 00222860 | |
dc.identifier.uri | http://scholarbank.nus.edu.sg/handle/10635/94736 | |
dc.description.abstract | The dipole moment of 1,1'-dicyano-1,1'-bicyclooctyl (1) has been measured in carbon tetrachloride and benzene over a range of temperatures. Analysis of the relative permittivity data shows that at 25°C in carbon tetrachloride, the compound exists in 26% gauche and 74% trans. The experimentally derived values of the energy difference between the gauche and trans rotamers, the dihedral angle of the gauche rotamer and the gauche/trans population quotient are compared with values predicted by molecular mechanics calculations. The crystal structure of (1) has also been determined by single-crystal X-ray diffraction methods. The molecule crystallizes in the triclinic space group P1, a = 6.849(2) Å, b = 7.065(3) Å, c = 9.588(3) Å, α = 90.82(3)°, β = 105.42(2)°, γ = 118.26(2)°, V = 388.5(2) Å3, Z = 1. The molecule adopts the trans conformation in the crystalline state. | |
dc.description.uri | http://libproxy1.nus.edu.sg/login?url=http://dx.doi.org/10.1016/S0022-2860(97)00305-0 | |
dc.source | Scopus | |
dc.subject | 1,1'-Dicyano-1,1'bicyclooctyl | |
dc.subject | Dipole moment | |
dc.subject | Molecular mechanics calculations | |
dc.subject | X-ray crystal structure | |
dc.type | Article | |
dc.contributor.department | CHEMISTRY | |
dc.description.doi | 10.1016/S0022-2860(97)00305-0 | |
dc.description.sourcetitle | Journal of Molecular Structure | |
dc.description.volume | 442 | |
dc.description.issue | 1-3 | |
dc.description.page | 145-152 | |
dc.description.coden | JMOSB | |
dc.identifier.isiut | 000072445300016 | |
Appears in Collections: | Staff Publications |
Show simple item record
Files in This Item:
There are no files associated with this item.
Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.