排序方式: 共有69条查询结果,搜索用时 328 毫秒
1.
Briggs CR Allen MJ O'Hagan D Tozer DJ Slawin AM Goeta AE Howard JA 《Organic & biomolecular chemistry》2004,2(5):732-740
The energies of the gauche and anti conformers of 2-fluoroethylamine, 2-fluoroethanol and their protonated analogues are calculated using density functional theory. Unlike the non protonated systems, the protonated systems show a strong gauche effect where the C-F and the C-(+)NH(3) or C-F and C-(+)OH(2) bonds are gauche rather than anti to each other. Single crystal X-ray diffraction studies of 2-fluoroethylammonium compounds identify the same conformational preference. 相似文献
2.
Summary Optically pure (+)-beta-eudesmol is a possible starting material for the synthesis of several termite defense compounds. A
two step procedure for the isolation of gram quantities of (+)-beta-eudesmol from commercially availableAmyris balsamifera oil (syn. West Indian sandalwood oil), containing 8% beta-eudesmol, was developed. Step one consisted of an efficient vacuum
distillation of the total oil. Step two was a medium pressure LC separation with an AgNO3 impregnated silica gel stationary phase. Several other separation procedures failed due to the presence of many closely related
sesquiterpene alcohols (75% of the oil). 相似文献
3.
Turner DR Henry M Wilkinson C McIntyre GJ Mason SA Goeta AE Steed JW 《Journal of the American Chemical Society》2005,127(31):11063-11074
Four isomorphous complexes of formula [M(L)(4)(H(2)O)(2)]SO(4).2H(2)O (M = Co, 1a; Ni, 1b; Cu, 1c; Zn, 1d) have been isolated and characterized by single-crystal X-ray diffraction and neutron diffraction using the quasi-Laue diffractometer VIVALDI at the Institut Laue-Langevin as well as by thermogravimetric analysis. The structures contain a discrete, strongly hydrogen-bonded water tetramer which causes a significant distortion of the metal coordination sphere in each case. Partial atomic charges and hardness analysis (PACHA) calculations reveal that the shortest hydrogen bonds are not the strongest in this constrained, cyclic solid-state structure and show that the distortion at the metal center is caused by the drive to maintain the integrity of the water tetramer. The system undergoes a disorder-order transition on slow cooling that provides insight into the nature of communication between water squares. 相似文献
4.
Stéphanie M. Cornet Andrés E. Goeta Judith A.K. Howard Mark D. Roden Amber L. Thompson 《Journal of organometallic chemistry》2005,690(16):3630-3637
Oxidative addition reactions of Cl2CPR (R = 2,4,6-tris(trifluoromethyl)phenyl (Ar) or 2,6-bis(trifluoromethyl)phenyl (Ar′) with Pt(PPh3)4 yield the cis and trans (at platinum) complexes [PtCl(ClCPAr)(PPh3)2] and [PtCl(ClCPAr′)(PPh3)2]. All starting materials and intermediates have been characterised by NMR spectroscopy. The crystal and molecular structures of the trans-platinum complexes have been determined by single-crystal X-ray diffraction at low temperature. 相似文献
5.
The benefits of carrying out single crystal X-ray diffraction (SXRD) experiments at low temperatures have long been recognised by the scientific community, as clearly demonstrated by the massive increase in publications reporting the use of low temperature SXRD in the past 15 years. This tutorial review will summarise the advantages, many of them now often forgotten by its practitioners or never known by the newcomers to the field, of performing single crystal X-ray diffraction experiments at low temperatures. The instrumentation currently available to university laboratories, which has been greatly improved over the past 5 years, will also be briefly described and a few different examples covering a range of applications will be presented. 相似文献
6.
Andrs E. Goeta Andrew K. Hughes John M. Malget 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(6):702-703
The structure of the title compound, [Ta2O(C2B9H11)2(C4H9N2)4]·0.5CH2Cl2, contains two (C2B9H11)Ta[NC(Me)NMe2]2 units bridged by a nearly linear [Ta—O—Ta 163.4 (4)°] μ‐oxo ligand. The dichloromethane molecule lies on a twofold axis. 相似文献
7.
8.
9.
S. J. Stewart G. F. Goya R. C. Mercader A. E. Goeta G. Punte F. Sapinya-Navarro 《Hyperfine Interactions》1994,83(1):419-424
The structural and magnetic properties of iron-doped Gd2BaCuO5 have been studied by X-ray diffractometry, Mössbauer spectroscopy and susceptibility measurements. Mössbauer data on Gd2BaCu0.8Fe0.2O5 show that at room temperature Fe is not magnetically ordered, displaying hyperfine parameters similar to those generally assigned to Fe at Cu(2) sites in the GdBa2(Cu1–x
Fe
x
)3O7 superconductor. Susceptibility measurements demonstrate that Gd2BaCu1–x
Fe
x
O5 behaves like a three-dimensional antiferromagnet withT
N=11.9±0.1 K, independent ofx. The effective magnetic moment calculated within a mean field approximation is consistent with an ordering of the Gd sublattice. 相似文献
10.