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国家自然科学基金(50971063)

作品数:13 被引量:9H指数:2
相关作者:骆耿耿戴劲草肖子敬刘利李东旭更多>>
相关机构:华侨大学华南理工大学更多>>
发文基金:国家自然科学基金福建省自然科学基金Scientific Research Foundation for the Returned Overseas Chinese Scholars, State Education Ministry更多>>
相关领域:理学轻工技术与工程化学工程石油与天然气工程更多>>

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13 条 记 录,以下是 1-10
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Synthesis,structure and bonding of the hypoelectronic cluster compound Sr_3Tl_5
2012年
The Sr3Tl5 phase was prepared by high temperature synthesis techniques through reaction of the high purity elements in the welded Nb tubes.The structure established through X-ray structural analysis shows the compound is a good hypoelectronic trielide example of the Pu3Pd5 structural type in which skeletal electron count is lower than in a traditional Zintl phase(Cmcm,Z = 4;a = 10.604(2) ,b = 8.675(2) ,and c = 10.985(2) ;V = 1010.5(3) 3).The strontium size and the compound's polarity appear responsible for this thallium phase crystallization in the Pu3Pd5 family type rather than the isoelectronic Sr3In5 version.A first-principle electronic structure calculation(LMTO) demonstrates that the strontium atoms participate substantially in Sr-Tl bonding in the structure.
LI DongXuLUO GengGengXIAO ZiJingDAI JingCao
二维铜配合物聚合物[Cu(MDNS)_2]_n的合成与表征被引量:1
2013年
采用溶液法合成铜的配位聚合物[Cu(MDNS)2]n(HDNS=3,5-二硝基水杨酸甲酯).研究表明,该化合物属单斜晶系,空间群为P21/c,分子式为C8H6N2O7.其晶胞参数:a=1.100 2(4)nm,b=1.123 3(4)nm,c=0.814 6(3)nm,β=107.970(6)°,V=0.957 7(6)nm3,Z=2,μ=1.233mm-1,Dc=1.893g.cm-3,F(000)=555,R=0.034 6,Rw=0.102 6.在标题化合物中,Cu2+离子由2个3,5-二硝基水杨酸甲酯的2个羰基氧原子和2个酚氧原子,以及另2个3,5-二硝基水杨酸甲酯的2个硝基氧原子配位,共同形成CuO6畸变的八面体配位构型.每一个3,5-二硝基水杨酸甲酯都同时桥联2个Cu2+离子,将化合物联结成二维网状结构的配位聚合物.
胡素贞肖子敬
关键词:配位聚合物晶体结构溶液法
Observation of the novel “three-pointed star” cage-like (H_2O)_5cluster in a polymeric solid {[Ag_2(bpp)_2(H_2O)_2](chd)·9H_2O}_n被引量:2
2012年
Coordination polymeric solid, {[Ag 2 (bpp) 2 (H 2 O) 2 ](chd)·9H 2 O} n (1) (bpp = 1,3-bis(4-pyridyl) propane, H 2 chd = 1,4-cyclo-hexanedicarboxylic acid), has been obtained by the solution phase ultrasonic synthesis techniques. The structure established through X-ray structural analysis shows that the compound traps an interesting 1D water tape built by the alternating "three-pointed star" cage-like pentameric and D 2h tetrameric clusters (C2/c, Z = 4; a = 30.37(2) , b = 9.271(5) , and c = 18.89(1) ; β = 128.47°; V = 4164(4) 3 ). The novelty of the present complex is the rarely crystallographic example of the cage-shaped water pentamer, which is usually ascribed to a less-stable species. A first-principle density functional theory (DFT) calculation demonstrates that the interconnectivity between cage-like pentamers and D 2h tetramers is beneficial for contribution to the structural stabilization of these less-stable water cluster species.
LUO GengGengXIONG HongBoFU ZhiYongDAI JingCao
关键词:CAGE-LIKEHOST
固态配位聚合物{[Ag_2(bpp)_2(H_2O)_2](chd)·9H_2O}_n中之新颖“三叉星”笼状(H_2O)_5水簇的发现
2012年
固态配位聚合物{[Ag2(bpp)2(H2O)2](chd).9H2O}n(1)(bpp=1,3-二(4-吡啶基)丙烷、H2chd=1,4-环己烷二羧酸)是通过溶液相超声波合成技术获得的,建立在X射线结构分析技术基础上的结构(单斜晶系C2/c空间群,Z=4;晶胞参数a=30.37(2)?,b=9.271(5)?,c=18.89(1)?;β=128.47o;V=4164(4)?3)展现出该化合物捕捉了一条有趣的、由"三叉星"笼状五聚体及D2h构型四聚体水簇交替构成的一维水带,该化合物之所以新奇在于其代表了被认为是不太稳定的笼状水五聚体团簇的晶体学范例.第一性原理的密度涵理论(DFT)计算表明,笼状五聚体及D2h构型四聚体水簇的相互连接对于此类欠稳定水簇的稳定性是有益的.
骆耿耿熊红波傅志勇戴劲草
关键词:笼状DFT
A hybrid carboxylate-water decamer with a discrete octameric water moiety self-assembled in a 2D copper(Ⅱ) coordination polymer被引量:3
2012年
An octameric water moiety which consists of a chairlike water hexamer and two pendent water molecules in the 1,4-diaxial positions and shows a similar structure to the hydrocarbon (lr,4r)-1,4-dimethylcyclohexane, is unambiguously trapped in a 2D Cu(II) mixed-ligand coordination polymer, {[Cu2(bpp)2(HzO)2(bpda)2]'6H2O}n (1) (bpp = 1,3-bis(4-pyridyl)propane and H2bpda = 2,2'-biphenyldicarboxylic acid). The water octamer can be extended into a hybrid carboxylate-water decamer when carboxylic oxygen atoms from bpda2- are involved. Interestingly, the present hybrid decamer bears a similar structural topology to a butterfly (H2O)10 cluster. The reversible dehydration/hydration of 1 is determined by X-ray powder diffraction studies.
LUO GengGengWU DongLiangLIU LiLI DongXuZHAO QingHuaXIAO ZiJingDAI JingCao
Photosensitivity in Ce/Sm-decorated Keggin polyoxomolybdates:an interesting photoinduced coloration phenomenon of mixed- metal clusters involving energy transfer from rare-earth fluorescence被引量:1
2014年
Ce/Sm ions are covalently grafted to a Keggin polyoxomolybdate cluster[PMo12O40]3-to yield interesting fluorescent-photodarkening molecular systems.Their photoresponce processes are observed to be activated via energy transfer from luminescent fragments to photocoloration components.
LIU LiLI HongMeiDAI JingCao
关键词:PHOTOACTIVATION
捕获含有圣杯式十六核水簇的水-甲醇二元簇合物(H_2O)_(20)(CH_3OH)_4
2012年
超声反应条件下,以氧化银、2,2'-二苯基二羧酸(H2bpda)及柔性配体1,3-二(4-吡啶)丙烷(bpp)为原料,在1:1的甲醇-水混合溶剂中合成了一个全新的银配合物[Ag4(bpda)2-(bpp)4·14H2O·2CH3OH]n(1),并对该配合物进行了元素分析、红外光谱分析、热重分析以及晶体结构研究.X射线单晶结构分析表明,配合物1的空洞中包裹着一种由罕见的圣杯式十六核水簇、四个悬挂水分子及四个悬挂甲醇分子通过氢键作用所构筑的具有中心对称性的水-甲醇二元簇合物(H2O)20(CH3OH)4.其中的十六核水分子簇可看作由一组对称性相关的八核水簇相互耦合而成,而每个八核水则由两个折叠状的五核水通过共边形成.有趣地是,仔细分析发现目前的十六核水簇结构上非常类似由两个并环戊二烯通过[2+2]环加成而得到的一种复杂的有机烃,显示出水分子簇与有机分子结构上的相似性.
骆耿耿何伟俊刘利吴升晖李东旭肖子敬戴劲草
A self-assembled(H_2O)_(20)(CH_3OH)_4 binary cluster containing a grail-shaped hexadecameric water cluster trapped in the cavity of a metal-ligand hybrid
2012年
A discrete centrosymmetric (H2O)20(CH3OH)4 binary cluster was confined in the cavity of a metaMigand hybrid [Ag4(bpda)2(bpp)4" 14H2O.2CH3OH], (1) (where bpp = 1,3-bis(4-pyridyl)propane and H2bpda = 2,2'-biphenyldicarboxylic acid) The novel mixed water-methanol cluster consists of one grail-shaped hexadecameric cluster, four dangling water and four hanging methanol molecules. The (H2O)16 cluster is composed of two pairs of edge-sharing (H2O)5 rings attached to one (H2O)4 core with twenty hydrogen bonds. Alternatively, the (H2O)16 cluster is structurally similar to a complicated hydrocarbon generated by undergoing [2+2] cycloaddition of 1,2,3,4,5,6-hexahydropentalene, which reveals the resemblance between water clusters and organic compounds.
LUO GengGengHE WeiJunLIU LiWU ShengHuLI DongXuXIAO ZiJingDAI JingCao
以Keggin型磷钼酸阴离子为模板的超分子化合物的合成与表征
2014年
采用溶液法合成一个捕获二维无限水层的多酸杂化化合物3H3[PMo12O40]·6C3N6H6·31H2O.X射线单晶衍射表明:标题化合物属于三方晶系,空间群为P-3;其晶胞参数a=1.754 0(9)nm,b=1.754 0(9)nm,c=1.330 5(3)nm,α=90°,β=90°,γ=120°,V=3.545 3(4)nm3.该化合物中的Keggin型多酸阴离子作为模板诱导了水簇形成,搭构成一个二维水层{(H2O)30}n,三氨基三嗪填充孔洞后增强了水簇的稳定性.热失重分析和循环伏安测试结果表明:标题化合物具有较好的热稳定性和优良的氧化还原性能.
黄绍春刘利张昀
关键词:超分子化合物多酸阴离子KEGGIN结构
银-8-羟基喹啉配合物的合成、晶体结构与性质表征
2013年
8-羟基喹啉(8-HQ)与Ag2O在乙腈/水混合溶剂中反应可获得银-8-羟基喹啉配合物(Ag(8-HQ)2).X-射线单晶衍射分析表明,配合物晶体属正交晶系P212121空间群,分子式为C18H13AgN2O2,Mr=397.17.其晶体学参数:a=0.724 25(1)nm,b=1.049 70(2)nm,c=1.895 12(3)nm,Z=4,Dc=1.831g·cm-3,R=0.036 6,Rw=0.097 8,拟合优度(GOF)为1.068.在其晶体结构中,每个Ag与两个8-HQ配体螯合构成畸变平面四方构型,通过分子间氢键和π-π堆积作用组成并行的一维超分子孪生链结构.固相和溶液相的配合物可分别于522nm和425nm处观察到荧光发射.
朱瑞敏骆耿耿戴劲草
关键词:8-羟基喹啉配合物晶体结构荧光性质
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