英语翻译Combining infrared spectroscopy and first principles cal

英语翻译
Combining infrared spectroscopy and first principles calculations,the
adsorption mechanism of SO2 within this class of MOFs is
explored.Multipoint interactions between SO2 molecules and
MOFs are found as possible binding sites within the frameworks:
SO2 interacting i) with the O site of the paddlewheel
building units through its sulfur atom,and ii) with the C-Hx
groups on the organic linkers through its oxygen atoms.
2.Experimental section:
Synthesis:A mixture of nickel (II) chloride hexahydrate
(0.107 g,0.45 mmol),H2bdc (0.060 g,0.36 mmol),ted (0.033
g,0.29 mmol) and 15 ml of DMF were transferred to Teflonlined
autoclave and heated at 120 °C for 2 days.Green crystalline
powder of Ni(bdc)(ted)0.5 was isolated by filtering and
washed three times with 10 ml of DMF.(Yield:83.8% based
on the metal) Then the sample was heated at 120 °C again
under a flow of dry N2 for one day to remove the guest DMF
molecules.
A mixture of zinc (II) nitrate hexahydrate (0.245 g,0.82
mmol),H2bdc (0.136 g,0.97 mmol),ted (0.073 g,0.65 mmol)
and 15 ml of DMF were transferred to Teflon-lined autoclave
and heated at 120 °C for 2 days.Cubic colorless crystals of
Zn(bdc)(ted)0.5 were isolated by filtering and washed three
times with 10 ml of DMF.(Yield:84.5% based on the metal)
Then the sample was heated at 120 °C again under a flow of
dry N2 for one day to remove the guest DMF molecules.

结合红外光谱和第一原理计算,该在这类材料的SO2的吸附机理探讨.多点之间的相互作用SO2分子MOFs材料的发现可能的结合位点内的框架：
SO2的相互作用
通过硫原子的建设单位,和II）与c-hx通过氧原子的有机基团的.
2.实验部分：
综合：混合的镍（II）六水合物
（0.107克,0.45毫摩尔）,得到（0.060克,0.36毫摩尔）,泰德（0.033克,0.29毫摩尔）和DMF ML 15被转移到teflonlined高压灭菌器和120°C 2天激烈的.绿色结晶
Ni粉（BDC）（TED）0.5进行过滤和分离洗了三次以DMF 10毫升.（产量：83.8%在金属）然后将样品加热在120°C一个干燥的氮气DMF分子.一种混合的锌（II）硝酸（0.245克,0.82
毫摩尔）,得到（0.136克,0.97毫摩尔）,泰德（0.073克,0.65毫摩尔）和DMF毫升Teflon-lined高压15被转移到加热120°C 2天.无色立方晶体Zn（BDC）（TED）0.5被过滤和洗涤三分离
随着DMF毫升10倍.（收益：基于金属84.5%）然后样品在120°C再次流下加热一天的干燥氮气除去DMF分子.