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dwaww银虫 (小有名气)
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[求助]
一段关于晶体结构分析的英文文献翻译
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图片和英文是一样的，主要是怕粘贴过来不准所以附了一张图片 The coordination environments about all of the d9 Cu2+ ions are the best considered as ‘4+2’ [CuO4N2] Jahn-Teller distorted octahedral [12]. The N(1), N(2), O(2) and O(3) occupy the equatorial positions, whereas O(1) and O(7) occupy the axial positions. The four equatorial atoms around the copper atom are almost square planar with maximum deviations from the O(2), N(1), O(3) and N(2) mean planes of -0.1421(10)o at O(2) and -0.1436(10)o at O(3). The Cu(1)–N(1) and Cu(1)–N(2) distances are 2.0499(18) Å and 2.0487(17) Å2.0499(18) Å, respectively (see Table 2). The axial Cu(1)-O(1) distance of 2.2178(17) Å is significantly longer than the equatorial Cu(1)-O(2) and Cu(1)-O(3) distances of 1.9815(18) Å and 1.9640(19) Å, respectively. The shorter Cu(1)-O(1) bonds located in the cis position relative to the Cu(1)-O(7) bond of 2.668(2) Å is attributed to the Jahn-Teller effect. This value is slightly shorter than that of 2.688(2) Å found in previous work [4]. The Jahn-Teller effect gives a long coordinating S-O bond compared to the terminal S-O bonds of the pendant sulfate anion. This sulfate group acts as a monodentate ligand in which sulfur atom of the sulfate anion is approximately tetrahedral geometry. Its bond lengths and angles are within the range of values found in another similar sulfate anion compounds and previous reports [4,5,10].  |
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zuodg
铁杆木虫 (正式写手)
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【答案】应助回帖
dwaww(金币+20, 翻译EPI+1): 2011-05-27 12:27:45
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‘4+2’ [CuO4N2] Jahn-Teller扭曲八面体（12）结构最好的解释了所有d9 Cu2+离子的配位环境. N(1), N(2), O(2)和O(3)占据着赤道位置，O(1) 和O(7)占据着轴位置。 铜原子周围的4 个赤道原子几乎呈正方平面， O(2) 和 O(3)到O(2), N(1), O(3) 和 N(2)平均平面的最大误差分别是-0.1421(10)o 和-0.1436(10)o 。Cu(1)–N(1) 和Cu(1)–N(2)的距离分别是2.0499(18) Å 和2.0487(17) Å2.0499(18) Å（见表格2）。Cu(1)-O(1)轴距（2.2178(17) Å ）比赤道平面Cu(1)-O(2)（1.9815(18) Å ）和 Cu(1)-O(3) （1.9640(19) Å）距离明显大很多。与 Cu(1)-O(7)键长（2.668(2) Å）相比相对较短的处于顺式位置的Cu(1)-O(1) 键可能受到了Jahn-Teller效应的影响。该值比此前报道的 2.688(2) Å略小【4】。与硫酸根阴离子S-O键相比，Jahn-Teller效应使得S-O配位键变长。作为单齿配体的硫酸根基团中硫原子大致呈四面体状。键长与角度与之前其他文献报道里硫酸根阴离子化合物的数值接近【4.5.10】。 |
2楼2011-05-26 14:35:23