原子Schrǒdinger方程直接求解的相关函数-势谐-广义Laguerre函数方法

引入相关函数,将势谐-广义Laguerre函数(PHGLF)方法发展为相关函数-势谐-广义Laguerre函数(CFPHGLF)方法,应用于He,H~-,Li~+和Be~(2+)等三体体系的n~1S(n=1～4)态.得到了比由PHGLF方法更精确的激发态n~1S(n=2～4)本征能量,且从n=2至4,与Hylleraas组态相互作用(HCI)能量愈来愈近,如He原子的3个激发态的本征能与最精确的HCI之差分别为0.001 827,0.000 666,0.000 376(a. u.);但基态的能量本征值逊于PHGLF方法.结果表明,非势谐函数对基态波函数尚有较显著的贡献,对激发态波函数的贡献较小;在势谐方案下,对基态(1~1S)应考虑电子间的相关,对于激发态重要的是消除电子与核间的歧点.     

Fluorinated Dicarboxylic Acids and Transition-metal（ll） Complexes with N-ligands： Synthesis, Characterizations and Crystal Structures

水热法合成了5个新的配位聚合物：[Cd（TFSA）（2,2＇-bpy）2]n（1）,[Mn（HFGA）（phen）2]n（2）,[Co（TFSA）（bpp）2（H2O）2]n（3）,[Zn（TFSA）（bpp）2（H2O）2]n（4）和[Cu（HFGA）（phen）]n（5）（TFSA=四氟丁二酸,HFGA=六氟戊二酸,2,2＇-bpy=2,2＇-联吡啶,phen=1,10-邻菲啰啉,bpp=1,3-二吡啶基丙烷）,通过X射线单晶衍射确定了配合物的晶体结构.配合物1和2具有相似的1D链结构,四氟丁二酸和六氟戊二酸以两个单齿羧基氧原子分别配位于Cd2＋和Mn2＋离子,2,2＇-联吡啶和1,10-邻菲啰啉分别螯合配位于Cd2＋和Mn2＋离子.配合物3和4具有相似的1D链结构,1,3-二吡啶基丙烷以两个端基氮原子桥联金属离子,四氟丁二酸和六氟戊二酸分别以单齿方式配位.配合物5是具有{4.82}拓扑的2D网结构,六氟丁二酸配体通过单齿/双齿-桥联模式连接Cu2＋离子.5个配合物均通过分子间弱作用进一步构筑成3D超分子结构.     

二维配位聚合物[Cu(anol)(μ1,3-N3)]n的合成、晶体结构及磁性

合成了一个结构新颖的二维Cu(Ⅱ)配位聚合物[Cu2(anol)2(μ1,3-N3)2]n(anol=2-氨基乙醇),通过X-射线单晶衍射确定了其晶体结构.晶体属单斜晶系,P21/n空间群,晶胞参数a=0.83806(17)nm,b=0.77355(15)nm,c=0.85349(17)nm,β=113.26(3)°.配体2-氨基乙醇以双齿模式配位,其配位原于包括醇羟基氧原子和氨基氮原子.在[Cu2(anol)2(μ1,3-N3)2]单元中,Cu(Ⅱ)离子通过2个μ1,1桥联方式配位的醇羟基氧原子相连,形成一个双核单元;单元之间以叠氮根离子EE桥联方式连接Cu(Ⅱ)离子形成二维网格状结构.变温磁化率测定结果表明,在配合物中,Cu(Ⅱ)离子之间存在反铁磁相互作用.     

含氟二羧酸和含氮配体与过渡金属(Ⅱ)配合物的合成、表征及晶体结构

水热法合成了5个新的配位聚合物:[Cd(TFSA)(2,2’-bpy)2]n(1),[Mn(HFGA)(phen)2]n(2),[Co(TFSA)(bpp)2(H2O)2]n(3),[Zn(TFSA)(bpp)2(H2O)2]n(4)和[Cu(HFGA)(phen)]n(5)(TFSA=四氟丁二酸,HFGA=六氟戊二酸,2,2’-bpy=2,2’-联吡啶,phen=1,10-邻菲啰啉,bpp=1,3-二吡啶基丙烷),通过X射线单晶衍射确定了配合物的晶体结构.配合物1和2具有相似的1D链结构,四氟丁二酸和六氟戊二酸以两个单齿羧基氧原子分别配位于Cd2+和Mn2+离子,2,2’-联吡啶和1,10-邻菲啰啉分别螯合配位于Cd2+和Mn2+离子.配合物3和4具有相似的1D链结构,1,3-二吡啶基丙烷以两个端基氮原子桥联金属离子,四氟丁二酸和六氟戊二酸分别以单齿方式配位.配合物5是具有{4.82}拓扑的2D网结构,六氟丁二酸配体通过单齿/双齿-桥联模式连接Cu2+离子.5个配合物均通过分子间弱作用进一步构筑成3D超分子结构.     

类氦离子Schrdinger方程直接求解的精确势谐方法

给出了一种直接求解三体原子Schrdinger方程的完整势谐展开方法,包括联立的超球径耦合微分方程和广义本征能方程;将其应用于类氦离子,得到了非常精确的基态和低躺激发态的本征能.     

间苯二甲酸和二咪唑基苯构建锌化合物的合成,晶体结构和荧光性质

由水热法合成了锌化合物[Zn2(dib)(1,3-BDC)2(H2O)](1),1,3-H2BDC=间苯二甲酸,dib=1,4-二咪唑基苯),并进行了元素分析、IR、TG及X-射线衍射法表征。晶体结构表明:配合物1属于单斜晶系,P21/n空间群。配合物1是由羧酸配体间苯二甲酸阴离子连接成一维双链,然后由1,4-二咪唑基苯连接成层状,此二维结构被氢键拓展成三维超分子结构。     

配合物[Cd（1,3-BDC）（L）（H2O）2]·H2O的水热合成、晶体结构和荧光性质

利用水热方法制备了一个新的过渡金属镉配合物[Cd(1,3-BDC)(L)(H2O)2]·H2O(1,3-H2BDC=间苯二甲酸,L=2-(3-吡啶基)-1H-苯并咪唑),并通过元素分析、红外光谱和X-射线单晶衍射方法确定了该配合物的晶体结构.结构分析表明该配合物属于单斜晶系,P21/c空间群,晶胞参数a=1.016 41(6)nm,b=2.088 42(12)nm,c=1.001 38(6)nm,β=106.336 0(10)°,V=2.039 8(2)nm3,Z=4,R1=0.020 7,wR2=0.494.配合物中CdⅡ离子与L配体的1个吡啶N原子、1,3-BDC的4个氧原子和2个配位水的O原子配位,形成七配位的扭曲十面体结构.配体1,3-BDC的桥连相邻的CdⅡ离子形成一维聚合物链,相邻链间通过氢键和π…π作用形成三维超分子网络,并对该配合物的热稳定性和荧光性质进行了研究.     

1, 3-双(2-(2,2-二氰乙烯基)苯氧基)-2-丙醇及其银(Ⅰ)配合物的合成、晶体结构及其荧光性质

用1,3-双(2-甲酰基苯氧基)-2-丙醇和丙二腈进行反应得到1,3-双(2-(2,2-二氰乙烯基)苯氧基)-2-丙醇配体L,然后将配体与Ag Sb F6进行配位反应,得到配合物[Ag LSb F6]n·n CHCl3(1),并用元素分析,FTIR和X-射线单晶衍射进行了表征。结果表明,配体L属于单斜晶系,空间群P21/n,晶体学参数:a=0.990 2(11)nm,b=2.181(2)nm,c=1.012 2(11)nm,β=109.374(10)°,V=2.062(4)nm3,Z=4,Dc=1.277 g·cm-3,Mr=396.40,μ=0.087 mm-1,F(000)=824,R1=0.064 2,w R2=0.117 4(I>2σ(I))。配合物1属于单斜晶系,空间群P21/n,晶体学参数:a=1.270 57(11)nm,b=1.456 44(13)nm,c=1.669 85(14)nm,β=105.643(3)°,V=2.975 6(4)nm 3,Z=4,Dc=1.918 g·cm-3,Mr=859.39,μ=1.907 mm-1,F(000)=1 664,R1=0.0417,w R2=0.1 032(I>2σ(I))。在配合物1中,配体L表现为四齿配体分别与4个银(Ⅰ)离子配位,同时,每一个银(Ⅰ)离子与4个相邻配体配位形成2D层状结构。同时,研究了配体和配合物的固体荧光性质。     

(ClAlNH)n簇合物的结构与稳定性

用量子化学从头算方法（HF／6－31G）和密度泛函理论（DFT）的B3LYP方法，以6－31G标准基组加一个极化函数，对（ClAlNH)n(n=1-10)簇合物的几何构型，电子结构和红外光谱进行了优化，并讨论了聚合反应（ClAlNH)m→(ClAlNH)n的热力学效应，结果表明，（ClAlNH)n系列簇合物的基态稳定结构为Cs(n=1),D2h(n=2),D3h(n=3),Td(n=4),Cs(n=5),D3d(n=6),Cs(n=7),S4(n=8),D3h(n=9),C2h(n=10,n=2,4,6,8,10等偶数对应的（ClAlNH)n簇化合物的结构比n等于奇数量更稳定。     

1,3-双(2-(2,2-二氰乙烯基)苯氧基)-2-丙醇及其银(Ⅰ)配合物的合成、晶体结构及其荧光性质（英文）

用1,3-双(2-甲酰基苯氧基)-2-丙醇和丙二腈进行反应得到1,3-双(2-(2,2-二氰乙烯基)苯氧基)-2-丙醇配体L,然后将配体与Ag Sb F6进行配位反应,得到配合物[Ag LSb F6]n·n CHCl3(1),并用元素分析,FTIR和X-射线单晶衍射进行了表征。结果表明,配体L属于单斜晶系,空间群P21/n,晶体学参数:a=0.990 2(11)nm,b=2.181(2)nm,c=1.012 2(11)nm,β=109.374(10)°,V=2.062(4)nm3,Z=4,Dc=1.277 g·cm-3,Mr=396.40,μ=0.087 mm-1,F(000)=824,R1=0.064 2,w R2=0.117 4(I2σ(I))。配合物1属于单斜晶系,空间群P21/n,晶体学参数:a=1.270 57(11)nm,b=1.456 44(13)nm,c=1.669 85(14)nm,β=105.643(3)°,V=2.975 6(4)nm 3,Z=4,Dc=1.918 g·cm-3,Mr=859.39,μ=1.907 mm-1,F(000)=1 664,R1=0.0417,w R2=0.1 032(I2σ(I))。在配合物1中,配体L表现为四齿配体分别与4个银(Ⅰ)离子配位,同时,每一个银(Ⅰ)离子与4个相邻配体配位形成2D层状结构。同时,研究了配体和配合物的固体荧光性质。     

Performance of Hyperspherical Harmonic Expansionon the Low-lying Pand D States of Helium Atom

IntroductionThe hyperspherical coordinate and corresponding hyperspherical harmonics (HH) havebeen applied to various areas of physics, such as three--body scattering, nuclear and atomicphysics as well as quantum chemistry['J, since the 1950's. The HH--generalized Laguerrefunction method (referred to as HHGLF) [2'3] and several modified versions developed by Dengand his coworkers, such as the potential harmonic--generalized Laguerre function(PHGLF )L'], and the correlation fun ct ion --…     

Homoleptic rare earth dipyridylamides [Ln2(N(NC5H4)2)6], Ln = Ce, Nd, Sm, Ho, Er, Tm, Yb, and Sc: metal oxidation by the amine melt and in 1,2,3,4-tetrahydroquinoline with the focus of different metal activation by amalgams, liquid ammonia, and microwaves

Homoleptic dimeric dipyridylamide complexes of the rare earth elements are obtained by solvent-free oxidation reactions of the metals with melts of 2,2'-dipyridylamine. As the thermal stabilities of the ligand as well as the amide complexes are limiting factors in these high-temperature syntheses, several different metal activation procedures have been investigated: the formation of Ln amalgams and dissolution of the metals in liquid ammonia as well as coupling to microwaves. For comparison with a solvent that shows low solubility of the metals and products, reactions in 1,2,3,4-tetrahydroquinoline were also carried out. For all lanthanides and group 3 metals used homoleptic dimers of the formula [Ln(2)(Dpa)(6)], Ln = Ce (1), Nd (2), Sm (3), Ho (4), Er (5), Tm (6), Yb (7), and Sc (8) and Dpa- = (C5H4N)2N-, were obtained, all containing trivalent rare earth ions with a distorted square antiprismatic nitrogen coordination. Due to the large differences in the ionic radii of the metal ions, two different structure types are found that crystallize in the space groups P2(1)/c and P2(1)/n with the border of the two types being between Tm and Yb. The orientations of two 1,3/1,3-double chelating and linking dipyridylamide ligands (Dpa(-) = (C(5)H(4)N)(2)N(-)) result in different overall orientations of the dimers and thus two structure types. All compounds were identified by single-crystal X-ray analysis. Mid-IR, far IR, and Raman spectroscopy, microanalyses, and simultaneous DTA/TG as well as mass spectrometry regarding their thermal behavior were also carried out to characterize the products. Crystal data for the two types follow. Ce (1): P2(1)/n; T = 170(2) K; a = 1063.0(1), b = 1536.0(1), c = 1652.0(2) pm; beta = 101.60(1) degrees ; V = 2642.2(3) x 10(6) pm(3); R(1) for F(o) > 4sigma(F(o)) = 0.046, wR(2) = 0.120. Sc (8): P2(1)/c; T = 170(2) K; a = 1073.0(1), b = 1506.2(2), c = 1619.8(2) pm; beta = 103.16(9) degrees ; V = 2548.9(5) x 10(6) pm(3); R(1) for F(o) > 4sigma(F(o)) = 0.038, wR(2) = 0.091.     

New alternating ferro- and antiferromagnetic one-dimensional complexes. Synthesis, characterization, crystal structure, and magnetic properties of

The preparation, X-ray crystal structure, and magnetic properties of alternating 1,1- and 1,3-azido-bridged copper(II) complex [Cu(4,4'-dmbpy)(N3)2]n (1, 4,4'-dmbpy = 4,4'-dimethylbipyridine) have been reported. It crystallizes in triclinic system, space group P1, a = 7.9903(1) A, b = 9.3545(9) A, c = 10.754(2) A, alpha = 113.485(1) degrees, beta = 101.399(1) degrees, gamma = 101.897(1) degrees, Z = 2. The magnetic properties of 1 have been investigated in the temperature range 1.5-300 K. Alternating antiferromagnetic (-J = 191.0 cm(-1)) interaction through a 1,3-N3- bridge and ferromagnetic (J = 297.1 cm(-1)) interaction through a 1,1-N3- bridge are obtained for 1 by analyzing the magnetic susceptibility data with the Hamiltonian H = -Jsigma(S2iS2i-1--alphaS2iS2i+1). It's derivatives ([Mn(4,4'-dmbpy)(N3)2]n (2), [Ni(4,4'-dmbpy)(N3)2]n (3), and [Fe(4,4'-dmbpy)(N3)2]n (4) and the heterometallic derivatives [NiMn(4,4'-dmbpy)2(N3)4]n (5) and [CuMn(4,4'-dmbpy)2(N3)4]n (6) have also been synthesized and characterized by electronic and IR spectra. The X-ray powder diffraction and the magnetic properties of 6 have also been discussed.     

The eigenenergies for ~3S excited states of the helium atom with CFPHGLF method

The matrix elements of the correlation function between symmetric potential harmonics were first simplified into the analytical summation of the grand angular momentum. The correlation-function potential-harmonic and generalized Laguerre function method (CFPHGLF) proposed by us recently was then applied to directly solve the Schrodinger equation for n3S(n=2-5) excited states of the helium atom. With only 12 PHs, the convergent eigenenergies of 23S, 33S, 43S and 53S states were 2.17427, 2.06849, 2.03644, 2.02257 Eh, respectively. The errors only were 0.00096, 0.00020, 0.00007, 0.00005 Eh, when compared with the exact Hylleraas variational results respectively.     

Experimental and theoretical determination of the dipole-quadrupole and dipole-octopole polarizabilities of the group IV tetrachlorides TiCl4, ZrCl4, and HfCl4

The dipole-quadrupole and dipole-octopole polarizabilities A and E of TiCl4, ZrCl4, and HfCl4 have been determined from collision-induced light-scattering experiments. Our respective experimental results for /A/ are (165+/-10), (110+/-30), and (140+/-20) e2a0 3Eh (-1), whereas /E/ is determined to be (675+/-125), (750+/-200), and (670+/-400) e2a0 4Eh (-1). Theory predicts values convincingly close to experiment, as A=(181.4+/-9.1), (167.6+/-8.4), and (139.8+/-7.0) e2a0 3Eh (-1), and E=(-671+/-67), (-688+/-69), and (-574+/-57) e2a0 4Eh (-1). In addition our quantum chemical ab initio calculations give reliable values for the dipole polarizability alpha, as well as for the octopole and hexadecapole moments Omega and Phi for all three substances.     

End-to-end azide-bridged manganese(III) chain compounds: field-induced magnetic phase transitions and variation of T(C) to 38 K depending on the side groups of the Schiff bases

Three one-dimensional coordination polymers [Mn(L)(N(3))](n) [L = L1 (1), L2 (2), L3 (3); L1H(2) = N,N'-bis(5-chlorosalicylideneiminato)-1,3-diaminopentane, L2H(2) = N,N'-bis(5-bromosalicylideneiminato)-1,3-diaminopentane, L3H(2) = N,N'-bis(5-bromosalicylideneiminato)-1,3-diamino-2-dimethylpropane] bridged by end-to-end azides were prepared. The crystal systems differ according to the Schiff bases used. Each Mn atom adopts a typical Jahn-Teller distortion. The helicity of the chains occurs in a racemic manner only for 2. No noncovalent forces are relevant in 2, while π-π contacts are visible in 1 and 3. Magnetic measurements show the presence of apparent spin canting. Complexes 1 and 3 exhibit a field-induced metamagnetic transition from an antiferromagnetic state to a weak ferromagnetic phase, whereas 2 embraces a field-induced two-step magnetic phase transition. The critical temperature is observed at 38 K for 2, which is relatively higher than those for 1 (11 K) and 3 (10 K). The pronounced long-range order may contribute from intrachain exchange couplings and through-space dipolar interactions between adjacent chains.     

Complementarity and countercomplementarity in polynuclear copper(II) complexes with R2NCH2CH(OH)CH2NR2 (R = H, CH3): crystal structures and magnetic study

The syntheses, structural characterization and magnetic behavior of five new copper(II) polynuclear compounds with formulae [Cu4(mu2-CH3COO)2(mu-bdmap)2(micro(1,5)-dca)2(dca)2(H2O)2] 1, [Cu2(mu2-CH3COO)(mu-bdap)(mu(1,1,5)-dca)(mu(1,3)-dca)]n 2, [Cu4(mu2-CH3COO)2(mu-bdmap)2(mu(1,1)-NCS)2(NCS)2] 3, [Cu2(mu2-CH3COO)(mu-bdap)(NCS)2] 4 and [Cu2(mu(1,3)-N3)(mu-bdmap)(N3)2]n 5 in which bdmapH is 1,3-bis(dimethylamino)-2-propanol, bdapH is 1,3-bis(amino)-2-propanol and dca is the anionic dicyanamide ligand, are reported herein. Tetranuclear complex 1 crystallizes in the monoclinic system, space group P2(1)/n, with unit cell parameters a = 8.284(8), b = 21.52(1), c = 11.432(3) A, beta = 105.19(2) degrees , Z = 2. Bi-dimensional complex 2 crystallizes in the triclinic system, space group P1, with unit cell parameters a = 8.184(5), b = 8.792(2), c = 10.887(2) A, alpha = 75.65(2), beta = 76.55(3), gamma = 74.36(3) degrees , Z = 2. Tetranuclear complex 3 crystallizes in the triclinic system, space group P1, with unit cell parameters a = 8.455(4), b = 9.114(9), c = 12.744(8) A, alpha = 104.62(8), beta = 99.86(6), gamma = 106.10(8) degrees, Z = 1. Dinuclear complex 4 crystallizes in the triclinic system, space group P1, with unit cell parameters a = 8.15(1), b = 8.18(2), c = 11.44(1) A, alpha = 69.39(2), beta = 80.36(2), gamma = 80.37(2) degrees , Z = 2. One-dimensional complex 5 crystallizes in the orthorhombic system, space group P2(1)2(1)2(1), with unit cell parameters a = 20.45(4), b = 11.36(3), c = 6.43(1) A, Z = 4. The magnetic behavior of all the complexes has been checked giving a bulk antiferromagnetic coupling in all the cases with |J| values in the range 109-144 cm(-1) for 1-4. Compound 5 is diamagnetic in the 2-300 K range of temperatures. The found J values 1-5 for can be justified from the structural data taking into account the orbital countercomplementarity for 1-4 and the orbital complementarity for 5.     

Computational methods to calculate accurate activation and reaction energies of 1,3-dipolar cycloadditions of 24 1,3-dipoles

Theoretical calculations were performed on the 1,3-dipolar cycloaddition reactions of 24 1,3-dipoles with ethylene and acetylene. The 24 1,3-dipoles are of the formula X≡Y(+)-Z(-) (where X is HC or N, Y is N, and Z is CH(2), NH, or O) or X═Y(+)-Z(-) (where X and Z are CH(2), NH, or O and Y is NH, O, or S). The high-accuracy G3B3 method was employed as the reference. CBS-QB3, CCSD(T)//B3LYP, SCS-MP2//B3LYP, B3LYP, M06-2X, and B97-D methods were benchmarked to assess their accuracies and to determine an accurate method that is practical for large systems. Several basis sets were also evaluated. Compared to the G3B3 method, CBS-QB3 and CCSD(T)/maug-cc-pV(T+d)Z//B3LYP methods give similar results for both activation and reaction enthalpies (mean average deviation, MAD, < 1.5 kcal/mol). SCS-MP2//B3LYP and M06-2X give small errors for the activation enthalpies (MAD < 1.5 kcal/mol), while B3LYP has MAD = 2.3 kcal/mol. SCS-MP2//B3LYP and B3LYP give the reasonable reaction enthalpies (MAD < 5.0 kcal/mol). The B3LYP functional also gives good results for most 1,3-dipoles (MAD = 1.9 kcal/mol for 17 common 1,3-dipoles), but the activation and reaction enthalpies for ozone and sulfur dioxide are difficult to calculate by any of the density functional methods.     

Synthesis, structural characterization, and Monte Carlo simulation of the magnetic properties of two new alternating MnII azide 2-D honeycombs. Study of the ferromagnetic ordered phase below 20 K

Reaction of MnII and pyridine derivatives such as 4-methylpyridine (4-Mepy) and 4-ethylpyridine (4-Etpy) led to the new two-dimensional systems trans-[Mn(4-Mepy)2(N3)2]n (1) and trans-[Mn(4-Etpy)2(N3)2]n (2). Compound 1 crystallizes in the triclinic system, P1 group (a = 9.269(2) A, b = 9.635(3) A, c = 18.860(4) A, Z = 4), and compound 2 crystallizes in the monoclinic system, P2(1)/c group (a = 14.416(3) A, b = 8.515(2) A, c = 15.728(4) A, Z = 4). The two compounds show honeycomb structures based on dinuclear Mn-(mu-N3)2-Mn subunits linked to the four nearest-neighbor similar subunits by four end-to-end single azido bridges, but whereas the subunits of compound 1 show the end-to-end Mn-(mu 1,3-N3)2-Mn kind of bridges, compound 2 prefers the end-on Mn-(mu 1,1-N3)2-Mn fragment. Magnetically, compound 1 is an alternating 2-D system with two different antiferromagnetic interactions, whereas compound 2 corresponds to a two-dimensional ferro-antiferromagnetic system showing spin canting and permanent magnetization below 20 K. The coupling constant parameters J1 = -10.1 cm-1, J2 = -4.7 cm-1, and g = 2.019 for 1 and J1 = -5.3 cm-1, J2 = 2.9 cm-1, and g = 2.016 for 2 have been obtained from calculations using the Monte Carlo method based on the Metropolis algorithm.     

Resorcinol based acyclic dimeric and cyclic di- and tetrameric cyclodiphosphazanes: synthesis, structural studies, and transition metal complexes

The condensation reaction of resorcinol with cis-[ClP(μ-N(t)Bu)(2)PN(H)(t)Bu] produced a difunctional derivative 1,3-C(6)H(4)[OP(μ-N(t)Bu)(2)PN(H)(t)Bu](2) (1), whereas the similar reaction with [ClP(μ-N(t)Bu)](2) resulted in the formation of a 1:1 mixture of dimeric and tetrameric species, [{P(μ-N(t)Bu)}(2){1,3-(O)(2)-C(6)H(4)}](2) (2a) and [{P(μ-N(t)Bu)}(2){1,3-(O)(2)-C(6)H(4)}](4) (2b), which were separated by repeated fractional crystallization and column chromatography. The reaction of dimer 2a with H(2)O(2) and selenium produces tetrachalcogenides [{(O)P(μ-N(t)Bu)}(2){1,3-(O)(2)-C(6)H(4)}](2) (3) and [{(Se)P(μ-N(t)Bu)}(2){1,3-(O)(2)-C(6)H(4)}](2) (4), respectively. The reaction between the dimer (2a) and [Pd(μ-Cl)(η(3)-C(3)H(5))](2) or AuCl(SMe(2)) yielded the corresponding tetranuclear complexes, [{((Cl)(η(3)-C(3)H(5))Pd)P(μ-N(t)Bu)}(2){1,3-(O)(2)-C(6)H(4)}](2) (5) and [{(ClAu)P(μ-N(t)Bu)}(2){1,3-(O)(2)-C(6)H(4)}](2) (6) in good yield. The complexes 5 and 6 are the rare examples of phosphorus macrocycles containing two or more exocyclic transition metal fragments. Treatment of 1 with copper halides in 1:1 molar ratio resulted in the formation of one-dimensional (1D) coordination polymers, [(CuX){1,3-C(6)H(4){OP(μ-N(t)Bu)(2)PN(H)(t)Bu}}(2)](n) (7, X = Cl; 8, X = Br; 9, X = I), which showed the helical structure in solid state because of intramolecular hydrogen bonding, whereas similar reactions of 1 with 4 equiv of copper halides also produced 1D-coordination polymers, [(Cu(2)X(2))(2){1,3-C(6)H(4){OP(μ-N(t)Bu)(2)PN(H)(t)Bu}(2)}](n) (10, X = Cl; 11, X = Br; 12, X = I), but containing Cu(2)X(2) rhomboids instead of CuX linkers. The crystal structures of 1, 2a, 2b, 4, 7-9, and 12 were established by X-ray diffraction studies.