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Billups WE Saini RK Litosh VA Alemany LB Wilson WK Wiberg KB 《The Journal of organic chemistry》2002,67(13):4436-4440
Thermolysis of spiro[2.4]hepta-1,4,6-triene (1a) at 50 degrees C yielded bicyclo[3.2.0]hepta-1,3,6-triene (5), which dimerized in two different fashions to form cyclobutanes. The 1,2-dimethyl and 1-propyl derivatives of 1a also rearranged at 50 degrees C, but at a faster rate, each yielding a pair of cyclobutane dimers. The structures of these symmetrical dimers were investigated by 1D and 2D NMR and NOE difference spectroscopy. Ab initio calculations indicated that the two strained olefins 1a and 5 had comparable energies about 50 kcal/mol lower than norborna-1(7),2,5-triene, which was thus excluded as a reaction intermediate. 相似文献
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Gas hydrate single-crystal structure analyses 总被引:4,自引:0,他引:4
Kirchner MT Boese R Billups WE Norman LR 《Journal of the American Chemical Society》2004,126(30):9407-9412
The first single-crystal diffraction studies on methane, propane, methane/propane, and adamantane gas hydrates SI, SII, and SH have been performed. To circumvent the problem of very slow crystal growth, a novel technique of in situ cocrystallization of gases and liquids resulting in oligocrystalline material in a capillary has been developed. With special data treatment, termed oligo diffractometry, structural data of the gas hydrates of methane, acetylene, propane, a propane/ethanol/methane-mixture and an adamantane/methane-mixture were obtained. Cell parameters are in accord with reported values. Host network and guest are subject to extensive disorder, reducing the reliability of structural information. It was found that most cages are fully occupied by a guest molecule with the exception of the dodecahedral cage in the acetylene hydrate which is only filled to 60%. For adamantane in the icosahedral cage a disordered model is proposed. 相似文献
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Zhenning Gu Feng Liang Zheyi Chen Anil Sadana Carter Kittrell W.E. Billups Robert H. Hauge Richard E. Smalley 《Chemical physics letters》2005,410(4-6):467-470
The charge transfer induced lithiation of single-wall carbon nanotubes (SWNTs) was investigated by in situ monitoring by Raman spectroscopy as lithium was added incrementally to a dispersion of SWNTs in liquid ammonia. Charge transfer from liquid ammonia solvated lithium to the SWNTs led to intercalation of lithium into the SWNT ropes, as well as to the semi-covalent lithiation of the SWNTs. Raman spectra of the SWNTs recorded as lithium was added showed a 30 wavenumber downshift of the G band (1594 cm−1) with the concomitant appearance of a new peak at 1350 cm−1 that was assigned as the signature of the lithiated SWNTs. Addition of 1-iodododecane to the lithiated SWNTs resulted in the covalent attachment of dodecyl groups. The intercalation of lithium throughout the SWNT ropes led to complete dodecylation of all individual SWNTs. 相似文献
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Chattopadhyay J Sadana AK Liang F Beach JM Xiao Y Hauge RH Billups WE 《Organic letters》2005,7(19):4067-4069
[reaction: see text] Carbon nanotube salts prepared by treating single-wall carbon nanotubes (SWNTs) with lithium in liquid ammonia react readily with aryl iodides to give SWNTs functionalized by aryl groups. 相似文献
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Eman Al-Shemas Stephen C. Billups 《Journal of Computational and Applied Mathematics》2004,170(2):355-432
This paper presents an iterative method for solving the generalized nonlinear set-valued mixed quasi-variational inequality, a problem class that was introduced by Huang et al. (Comp. Math. Appl. 40 (2–3) (2000) 205–215). The method incorporates step size controls that enable application to problems where certain set-valued mappings do not always map to nonempty closed bounded sets. 相似文献
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