One-dimensional Chain Dibenzo-18-crown-6 Complex: [K(DB18-C-6)]2[Pt(SCN)6]·2H2O·C2H4Cl2 Assembled by Cation-π Interactions

Introduction Cation-πinteractions have come to be appreciated as an important noncovalent binding force in many areas of modern chemistry, such as material design, molecular biology, host-guest and supramolecular chemistry[1-3].     

[Na(DB18-C-6)(H_2O)_2][Na(DB18-C-6)(SCN)_2]: Two-Dimensional Network Complex Assembled by π-π Stacking Interactions, Hydrogen Bonds and Electrostatic Interactions

ＩｎｔｒｏｄｕｃｔｉｏｎＩｔｈａｓｂｅｅｎｗｉｄｅｌｙａｇｒｅｅｄｔｈａｔｗｅａｋｉｎｔｅｒａｃｔｉｏｎｓｃｏｕｌｄｐｌａｙｖｉｔａｌｒｏｌｅｓｉｎｔｈｅｃｏｎｆｏｒｍａｔｉｏｎａｌｓｔａｂｉｌｉｔｙｏｆａｗｉｄｅｖａｒｉｅｔｙｏｆｃｈｅｍｉｃａｌｓｙｓｔｅｍｓ ,ｗｉｔｈａｐｐｌｉｃａｔｉｏｎｓｒａｎｇ ｉｎｇｆｒｏｍｍａｔｅｒｉａｌｓｓｃｉｅｎｃｅｔｏｍｏｌｅｃｕｌａｒｂｉｏｌｏｇｙ .Ｉｎｐａｒｔｉｃ ｕｌａｒ ,π πｓｔａｃｋｉｎｇａｎｄｈｙｄｒｏｇｅｎｂｏｎｄｉｎｇｉｎｔｅｒａｃｔｉｏｎｓｈ…     

Canon-π Interactions. Synthesis and Crystal Structure of Palladium Complex:[K(DB18C6)]_2[Pd(SCN)_4]

Noncovalentinteractionsplayadominantroleinmanyforefrontareasofmodemchemistry,frommat6rialsdesigntOmolecularbiology.Recelltly,theK -ninteractionshaveattractedmuchattentionbecauseoftheionseleCtivityinpotaSsiumchannelsl.Inothersystem,Sunneretal.showedthefirsttimebymassspectrometrythatK bindstobenzeneinthegasPhase:.ThisfindingstimulatedthestUdyoftheK -xinteractions.Indeed,theK -ninteractalshavealsobeen,identifiedbyX-raysinglecrystaldistractionanalysisforseveralcompouxtds:Km-be~usor--Phenyl',…     

[Na(DB18-C-6)(H2O)2][Na(DB18-C-6)(SCN)2]：Two-Di-mensional Network Complex Assembled by π-π Stacking Interactios,Hydrogen Bonds and Electrostatic Interactions

A novel two‐dimensional network dibenzo‐18‐crown‐6 (DB18‐C6) complex: [Na (DB18‐C‐6) (H₂O)₂] [Na (DB18‐C‐6) (SCN)₂] has been isolated and characterized by elemental, IR and X‐ray diffraction analysis. The crystal structure belongs to monoclinic, space group P2₁/c with cell dimensions a = 1.06178(7), b = 1.40243(8), c = 3.03496(19) nm, β = 90.4220(10)°, V = 4.5292(5) nm³, Z=4, D_calcd =1.351 g/ cm³, F(000) = 1936, R₁ = 0.0369, wR₂ = 0.0821. The most interesting feature in this structure is that complex cation and complex anion form a two‐dimensional network via τ‐τ stacking interactions, hydrogen bonds and electrostatic interactions.     

Two-dimensional Network Crown Ether Complex. Synthesis and Crystal Structure of 18-Crown-6 Complex: [K(18-C-6)]_2[Cd-(mnt)_2]

ＩｎｔｒｏｄｕｃｔｉｏｎＲｅｃｅｎｔｙｅａｒｓ ,ｃｏｏｒｄｉｎａｔｉｏｎｐｏｌｙｍｅｒｓｈａｖｅｂｅｅｎｒｅ ｃｅｉｖｅｄｍｕｃｈａｔｔｅｎｔｉｏｎｂｅｃａｕｓｅｏｆｔｈｅｉｒｉｎｔｅｒｅｓｔｉｎｇｐｈｙｓｉ ｃａｌｐｒｏｐｅｒｔｉｅｓｓｕｃｈａｓｅｌｅｃｔｒｉｃａｌｃｏｎｄｕｃｔｉｖｉｔｙ ,ｍａｇ ｎｅｔｉｓｍ ,ｎｏｎｌｉｎｅａｒｏｐｔｉｃａｌｐｒｏｐｅｒｔｉｅｓａｎｄｐｏｔｅｎｔｉａｌａｐｐｌｉ ｃａｔｉｏｎｓｉｎｓｅｐａｒａｔｉｏｎａｎｄｃａｔａｌｙｓｔ.1Ｔｈｅｍｏｄｕｌａｒａｐ ｐｒｏａｃｈ…     

利用氧化加成反应合成[Cu(C_6H_5COO)_2(C_5H_5N)_2(H_2O)]

室温下 ,金属铜粉和过氧化苯甲酰进行氧化加成反应合成了铜化合物 [Cu(C6H5COO) 2 (C5H5N) 2 (H2 O) ](1 )。通过元素分析、电导、红外光谱等方法对配合物进行了表征 ,并经X 射线单晶结构分析确定了配合物的结构 ,晶体属单斜晶系 ,空间群Cc ,a =0 .60 78(4) ,b =1 .5879(4) ,c =2 .30 91 (3)nm ,β =97.61 (2 )°,Z =4,V =2 .2 0 91nm3,R =0 .0 30 7,中心铜原子由单齿配位的苯甲酸根的氧原子和吡啶的氮原子及来自水分子的氧原子形成四方锥配位结构。     

一维链状冠醚配合物[K(B18-C-6)]_2[M(SCN)_4](M=Pd,Pt)的合成与结构

合成了苯并18-冠-6（B18-C-6）与K_2[Pd(SCN)_4]生成的配合物[K（B18-C-6 ）]_(12) [Pd(SCN)_4] (1), [K(B18-C-6)]_2[Pt(SCN)_4] (2)和[K(B18-C-6)]_2 [Pt(SCN)_4]·C_2H_4Cl_2 (3),并通过元素分析、红外光谱、单晶X射线衍射进行 了表征。1和2为单斜晶系,空间群P2_l/n,晶体学数据：1, a = 1.00970(17) nm, b = 1.3157(2) nm, c = 1.7303(3) nm, β = 94.841(2)°, V = 2.2852(7) nm~3, Z = 2, F(000) = 1136, R_1 = 0.0257。3为三斜晶系,空间群P1,晶体学 数据：a = 0.95914(18) nm, b = 1.2137(2) nm, c = 2313(2) nm, α = 63.693 (2)°, β = 76.293(2)°, γ-1.2406(4) n~3, Z = 1 F(000)618,R_1 = 0.0366 。在固态,三个配合物相邻的两个[K（B18-C-6）]~+基团通过冠醚氧化原子与钾的 子的相边接而形成一维链状结构。     

Syntheses and Crystal Structures of(H_3O)(C_3H_5N_2)[Mn(OH)_6Mo_6O_(18)]·3.5H_2O and (H_3O)_3[Co(OH)_6Mo_6O_(18)]·7H_2O

1 INTRODUCTION Polyoxometalates, a rich and remarkable classof inorganic cluster system[1], exhibit diverse appli-cation possibilities due to their topological and elec-tronic properties, ranging from their well-known roleas reagents in analytical, b…     

Synthesis,Structure and Characterization of a New Complex: [Mn(C_6H_(12)N_4)_2(H_2O)_4][Mn(H_2O)_6][SO_4]_2·6H_2O

A novel complex,[Mn(C_6H_(12)N_4)_2(H_2O)_4][Mn(H_2O)_6][SO_4]_2·6H_2O,was synthesized and hexagonal single crystals with centimeter-scale sizes were obtained by the method of solvent evaporation.It was characterized by elemental analysis,infrared spectrum,thermogravimetric analysis and X-ray single-crystal diffraction.The complex belongs to triclinic crystal system,space group P■ with a=9.3390(8),b=13.3520(13),c=16.3207(13)?,α=100.7160(3)°,β=90.1020(10)°,γ=109.9490(5)°,V=1874.9(3)?~3,Z=2,D_c=1.542 g/cm~3,M_r=870.64,μ=0.876 mm~(-1),T=293(2) K,F(000)=916 and S=0.990.The crystal structure determination displayed a distorted octahedral geometry around the manganese atom,which is bound to two nitrogen atoms from hexamethylenetetramine,acting as monodentate ligands,and to four aqua ligands.Variable-temperature magnetic measurements of the complex indicate the presence of weak antiferromagnetic interaction between manganese centers.     

CRYSTAL STRUCTURE OF CK(C_(12)H_(24)O_6)]_2Pd(SCN)_4(H_2O)

<正> [K(C_12H_24O_6)]_2Pd(SCN)_4(H_2O),MT=963.59,monoclinic, P21/n,a= 11. 075(1),b= 12. 231(1),c= 15. 863(2) A ,β=93. 25(1)°,V=2145. 3A3,Z=2, Dc=1. 492gcm-3,λ(MoKa) = 0. 71073A μ=8. 64cm-1,F(000) = 996,final R=0. 045 for 1835 observable reflections. The Pd2+ ion coordinates with four S atoms from SCN- groups forming a regular square planar configuration. The K+ ion is surrounded by six ether oxygen atoms,one O atom from water molecule coordinated to two K+ions and one N atom from SCN- group to form a distorted hexagonal bipyramid. Two K atoms are linked with one Pd atom by two bridging SCN- groups forming a chain molecular array in the crystal.     

CRYSTAL STRUCTURE OF Ba[Co(EDTA)]_2·6H_2O

<正> INTRODUCTION. The crystal structures of a number of metal complexes of ethlenediaminetetraacetic acid (EDTA) have been reported. As a versatile ligand, EDTA molecule is known to have several different coordination forms.     

Synthesis and Crystal Structure of an Organic-inorganic Complex [Hg(DMSO)_2(H_2O)]_2 [GeW_(12)O_(40)]·DMSO·H_2O

Hybrid organic-inorganic compounds have attracted increasing interest in recent years due to the possibility of combination of different characteristics of the compounds to get unusual structures, properties, or applications1. Polyoxometalates (POMs) whic…     

Synthesis and Structure Study of Molybdenum Complex Mo[o-NHCOCH_3-m-NO_2C_6H_3COOH]_2_O2Cl_2·PhCl

The crystal and molecular structures of molybdenum complex, Mo [ o- NHCOCH3- m-NO2C6H3COOH]2O2Cl2.PhCl are reported. The crystal belongs to space group Cc of monoclinic system with unit cell parameters:α= 11. 214 (3) A .b= 19. 544 (4 ) A . c = 14. 091 (6) A .β=94.06(3)°,V'=3080.3 A3 and Z=4. The structure was refined to R=0. 061.The coordination number for the Mo atom Is six. The coordination polyhedron formed by four O atoms and two Cl atoms around the Mo atom is a distorted octahedron. Four O atoms and one Mo atom construct a plane. Two benzyl planes in coordinate groups and the benzyl plane of solvent are almost parallel. The quantum-chemical calculations were carried out. There are hydrogen bonds in the Complex. The EHMO calculations and the existence of hydrogen bonds prove that the O atoms are stronger coordinated atoms in the carbonyls than in the carboxyls.     

对“一维链状冠醚配合物[K(B18-C-6)]_2[M(SCN)_4](M=Pd,Pt)的合成与结构”一文的更正

我们合成、表征了苯并 1 8 冠 6(B1 8 C 6)与K2 [Pd (SCN) 4 ],K2 [Pt(SCN) 4 ]生成的一维链状配合物 [K(B1 8 C 6) ]2 [Pd(SCN) 4 ]( 1 ) ,[K(B1 8 C 6) ]2 [Pt(SCN) 4 ]( 2 )和[K(B1 8 C 6) ]2 [Pt(SCN) 4 ]·C2 H4Cl2 ( 3 ) .其中 3为三斜晶系 ,空间群P1 [化学学报 2 0 0 2 ,60 ( 8) ,1 465 ].厦门大学胡盛志教授认为该化合物的空间群应为P 1 .经将原始数据重新还原、修正 ,3的空间群的确为P 1 ,现予以更正 .配合物 3部分结构数据由表 1给出 ,其非氢原子坐标和热参数列于表 2 ,部分键长和键角列于表 3 .晶体结构和堆积图…     

[Ni(dien)_2]_2[Mn(NCS)_6]·H_2O的合成、晶体结构

硫氰酸根的结构为N≡C－S－，其两端的N原子和S原子分别有一对和三对孤对电子，因此，硫氰酸根可采用多种不同的配位模式与金属离子发生配位。硫氰酸根可作为单齿配体与一个金属离子配位，形成M－SCN或M－NCS的单核配合物，也可以作为桥联配体同时与两个、三个甚至四个金属离子配位形成多核配合物犤１～３犦；另一方面，硫氰酸根是一个具有一定共轭性的偶极子，可传递磁相作用。因此，选择硫氰酸根作为桥联配体，将多个顺磁金属离子桥联形成一维、二维或三维结构的多核金属配合物分子，并研究它们的磁性已成为分子磁学的一个研究领域…     

[Cu(TOL)_4]Cl_2·2C_2H_5OH·2H_2O的合成和晶体结构

三唑醇(Triadimenol,简写TOL)是一内吸性的广谱低毒杀菌剂,主要用于禾谷类作物,腥黑穗病、丝黑穗病、散黑穗病、白粉病、锈病等病害的防治犤1～3犦。其化学名称为1-(4-氯苯氧基)-3,3-二甲基-1-(1H-1,2,4三唑-1基)丁基-2-醇,结构式如下:以农药为配体的金属配合物近年来逐渐被人重视犤4,5犦,它不仅保持了某些金属离子的杀菌特性,扩大了杀菌谱,而且作为一种缓释技术,使农药具有提高持效、延长半衰期、降低对哺乳动物的毒性以及使农药从非内吸性转化为内吸性等优越性。铜化合物作为杀菌剂使用已有60多年的历史,至今仍无抗性,由于其广谱、低毒,…     

气相中二氯苯的双电荷离子[C_6H_4Cl_2]~(2+)和[C_6H_3Cl]~(2+)的动能谱研究

本文利用质量分析离子动能谱(MIKES)和碰撞诱导解离(CID)技术,研究了邻、间、对二氯苯分子在电子轰击质谱(EIMS)中产生的[C_6H_4Cl_2]~(2+)和[C_6H_3Cl]~(2+)双电荷离子的单分子电荷分离(CS)反应.根据测定的CS反应的动能释放值T和由此估算的反应过渡态的电荷间距的最小值R,推测过渡态的结构.有趣的是,可以利用双电荷离子[C_6H_4Cl_2]~(2+)的分解反应区分二氯苯的位置异构体.     

Synthesis and Crystal Structure of a Sandwiched Trinuclear Complex [Tl_2(18-Crown-6)_2Pt(CN)_4]·2H_2O

1 INTRODUCTION Tetracyanoplatinate ion often forms one-dimen- sional chain compounds, and the Pt–Pt spacings are often only 0.01~0.3 ? longer than those in Pt metal (2.78 ?). The studies of room-temperature electrical conductivities of these complexes indicate that the shorter the Pt–Pt separations in the chains are, the higher the electrical conductivity is[1~3]. Tetracyano- platinate ion may also stack with suitable planar cations into one-dimensional materials such as [Pt- (CNR)4]…     

Is There any Hexazirconium Cluster in the Compounds [HP(t-Bu)_2Ph_3]_3[Zr_6Cl_(18)H_5] and Zr_6Cl_(14)(PPr_3)_4H_4?

tw'somhachaehavbo~tysomeds,ndalsothemoecularStrUatof[HP(tHu)Wha1s~l8H]andZrCll`(PPr)wharegiVentysingle~X-ra)'~analops[l1.Forthffemo~,Siszirco~atomSadmpanoctahedralconfigUraonandanytwoneghbOrinzir~atomsarebridgedthrOUghClatom.Weallkngu'thametalclUSterisdefinedastheComPoUnwithdirodmetal-metalbondininitsmQleculeStrUCtUre.TherarefewalrconiumclUSterSuPtOnow.andeachofPOssfoleZrasbondsis,bridedthroUghClatom.TherebopIDmPtedustoopouelotctocalculatioforthestwofCompoUnco-ngzirConiumato…     

Crystal Structure of [La(NCS)_3(18-crown-6)(DMF)]

ＣｒｙｓｔａｌＳｔｒｕｃｔｕｒｅｏｆ[Ｌａ（ＮＣＳ）_３（１８－ｃｒｏｗｎ－６）（ＤＭＦ）]ＭａｏＪｉａｎｇ－Ｇａｏ（ＦｕｊｉａｎＩｎｓｔｉｔｕｔｅｏｆＲｅｓｅａｒｃｈｏｎｔｈｅＳｔｒｕｃｔｕｒｅｏｆＭａｔｔｅｒ，ＡｃａｄｅｍｉａＳｉｎｉｃａ，Ｆｕｚｈ?..