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Chinese Journal of Structural Chemistry 2015年第5期34卷 710-718页

作者： pan ya-ru SUN Ming LI Xiu-Mei Faculty of Chemistry Tonghua Normal University College of Plant Science Jilin Agriculture Science and Technology College

A new metal-organic coordination polymer [Ni（oba）（mbix）（H2O）]n·n H2O（H2oba = 4,4‘-oxydibenzoic acid,mbix = 1,3-bis（imidazol-1-ylmethyl）-benzene） 1 has been hydrothermally synthesized and structurally characterized by elemental analysis,IR,TG,UV and single-crystal X-ray *** crystals crystallize in the triclinic system,space group P1 with a = 10.1915（18）,b = 11.415（2）,c = 12.314（2）A,α = 74.263（3）,β = 84.545（2）,γ = 74.369（3）o,V = 1327.6（4） A,C28H26N4 Ni O7,Mr = 589.24,Dc = 1.474 g/cm3,F（000） = 612,Z = 2,μ（Mo Kα） = 0.786 mm-1,the final R = 0.0332 and w R = 0.0869 for 4622 observed reflections（I 〉 2σ（I））.The structure of 1 exhibits a one-dimensional chain-like *** addition,natural bond orbital（NBO） analysis was performed by the PBE0/LANL2 DZ method in Gaussian 03 *** calculation results show obvious covalent interaction between the coordinated atoms and Ni（Ⅱ） ion.

关键词： nickel(Ⅱ) complex 4 4'-oxydibenzoic acid crystal structure natural bond orbital

Synthesis, Crystal Structure and Theoretical Calculations of a New Co(Ⅱ) Coordination Polymer Based on 5-Nitroisophthalic Acid and Bis(imidazol) Ligands

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Chinese Journal of Structural Chemistry 2016年第2期35卷 298-306页

作者： LI Xiu-Mei SUN Ming pan ya-ru JI Jian-Ye Faculty of Chemistry Tonghua Normal University College of Plant Science Jilin Agriculture Science and Technology College

A new complex[Co（NIPH）（mbix）]n（1,H2NIPH = 5-nitroisophthalic acid,mbix =l,3-bis（imidazol-l-ylmethyl）benzene） has been hydrothermally synthesized and structurally characterized by elemental analysis,IR spectrum,UV spectrum,TG and single-crystal X-ray *** crystals crystallize in the triclinic system,space group P1 with a = 8.3797（8）,b= 10.2522（10）,c= 13.4244（13） A,α=94.820（2）,β=108.105（2）,γ=104.816（2）°,V=1042.84（17） A^3,C（22）H（17）CoN5O6,Mr = 506.34,Dc = 1.613 g/cm^3,F（000） = 518,Z = 2,μ（MoKα） =0.876 mm^（-1）,the final R = 0.0505 and wR = 0.1254 for 3267 observed reflections（I〉2σ（I））.The structure of 1 exhibits a two-dimensional network structure and is extended into a three-dimensional supramolecule through hydrogen bonds and n-n *** addition,Natural Bond Orbital（NBO） analysis was performed by using the PBE0/LANL2 DZ method built in Gaussian 09 *** calculation results showed obvious covalent interactions between the coordinated atoms and Co（Ⅱ） ion.

关键词： hydrothermal synthesis crystal structure cobalt complex natural bond orbital

Synthesis,Crystal Structure and Quantum Chemistry of a Pb(Ⅱ)Coordination Polymer Based on Adipic Acid and Phenanthroline Derivatives

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Chinese Journal of Structural Chemistry 2021年第11期40卷 1482-1488,1408页

作者： pan ya-ru LI Xiu-Mei LIU Bo ZHOU Shi Faculty of Chemistry Tonghua Normal UniversityTonghua 134002China Faculty of Chemistry Jilin Normal UniversitySiping 136000China

A new Pb(Ⅱ)coordination polymer,[Pb(adip)(L)_(2)]_(n)(1,H_(2)adip=adipic acid,L=2-(4-N,N’-dimethylphenyl)-1-H-imidazo[4,5-f][1,10]phenanthroline),was synthesized under hydrothermal conditions and characterized by single-crystal X-ray diffraction,powder XRD,FT-IR,thermogravimetric,fluorescence spectrum and elemental analysis *** 1 crystallizes in triclinic system,space group P1 with a=11.406(3),b=12.036(4),c=17.520(5)Å,V=2228.3(11)Å^(3),M_(r)=1028.09,D_(c)=1.532 g·cm^(-3),F(000)=1024,μ(Mo Kα)=3.842,R_(int)=0.0274 and Z=*** final R=0.1055 and w R=0.3277 for 6954 observed reflections with I>2σ(I).It features a one-dimensional chain linked by adip^(2-) ***,complex 1 exhibits strong green luminescence with emission peak of 514 *** addition,the quantum-chemical calculations were accomplished on’molecular fragments’extracted from the crystal structure of 1 using the PBE0/LANL2DZ method built in Gaussian *** calculation values denoted the distinct covalent interaction between the coordinated atoms and Pb(Ⅱ)ion.

关键词： coordination polymer hydrothermal synthesis crystal structure luminescence property quantum-chemical

A New One-dimensional Complex Assembled by 4-Nitrobenzoic Acid and Bis(imidazol) Ligands:Syntheses, Structures and Theoretical Calculations

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Chinese Journal of Structural Chemistry 2019年第5期38卷 783-790,670页

作者： LI Xiu-Mei pan ya-ru LIU Bo ZHOU Shi CHANG Ying-Fei Faculty of Chemistiy Tonghua Normal University Tonghua 134002 China Key Laboratory of Preparation and Applications of Environmental Friendly Materials (Jilin Normal University) Ministry of Education Changchun 130103 China Faculty of Chemistry Northeast Normal University Changchun Jilin 130024 China

A new Zn（Ⅱ）coordination polymer,[Zn（nba）2（mbix）]2n（1,Hnba=4-nitrobenzoic acid,mbix=1,3-bis（imidazol-1-ylmethyl）-benzene）,was synthesized and characterized by elemental analyses,IR spectra,TG,fluorescence spectroscopy,single-crystal and powder X-ray *** belongs to the triclinic system,■ space group,with a=9.341（2）,b=13.029（3）,c=23.660（6）?,α=99.603（6）°,β=90.461（6）°,γ=90.597（5）°,V=2838.9（12）?3 and Z=*** shows one-dimensional chains which are further linked by C–H···O hydrogen bonds andπ-πstacking interactions to yield a three-dimensional supramolecular *** addition,the Natural Bond Orbital（NBO）was analyzed in using the PBE0/LANL2DZ method built in Gaussian 09 *** calculation results indicated obvious covalent interaction between the coordinated atoms and Zn（Ⅱ）ion.

关键词： synthesis crystal structure 4-nitrobenzoic acid Zn(Ⅱ) complex natural bond orbital

Two New Zn(Ⅱ) and Co(Ⅱ) Coordination Polymers Constructed by 4-Bromobenzoic Acid and 1,4-Bis(imidazol-1-yl)-butane: Synthesis, Crystal Structure and Theoretical Calculations

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Chinese Journal of Structural Chemistry 2019年第4期38卷 635-643页

作者： pan ya-ru LI Xiu-Mei LIU Bo ZHOU Shi CHANG Ying-Fei Faculty of Chemistry Tonghua Normal University Key Laboratory of Preparation and Applications of Environmental Friendly Materials (Jilin Normal University) Ministry of Education Faculty of Chemistry Northeast Normal University

Two new coordination polymers, [Zn(bba)_2(bib)]_(2n)(1) and [Co_(0.5)(bba)(bib)_(0.5)]_(2n)(2)(Hbba = 4-bromobenzoic acid, bib = 1,4-bis(imidazol-1-yl)-butane), have been hydrothermally designed and synthesized, and their structures were determined by elemental analyses, IR spectroscopy, TG, fluorescence spectroscopy, X-ray single-crystal and powder diffraction. Complexes 1 and 2 both belong to the monoclinic system and exhibit one-dimensional zigzag chain-like structure. In addition, we analyzed Natural Bond Orbital(NBO) in using the PBE0/LANL2 DZ method built in Gaussian 03 Program. The calculation results indicated the obvious covalent interaction between the coordinated atoms and Zn(Ⅱ), Co(Ⅱ) ions.

关键词： synthesis crystal structure Zn(Ⅱ) complex Co(Ⅱ) complex natural bond orbital

A New Two-dimensional Cd(Ⅱ) Complex Assembled by 1,3,5-Benzenetricarboxylic Acid and 3-(2-Pyridyl)pyrazole

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Chinese Journal of Structural Chemistry 2019年第8期38卷 1275-1282页

作者： WANG Xiu-yan LI Xiu-Mei pan ya-ru LIU Bo ZHOU Shi Key Laboratory of Preparation and Applications of Environmental Friendly Materials(Jilin Normal University) Ministry of EducationChangchun 130103China Faculty of Chemistry Tonghua Normal UniversityTonghua 134002China

A new 2D coordination polymer, {[Cd5(BTC)2(L)4(H2O)2]n·2H2O}n(1, H3BTC = 1,3,5-benzenetricarboxylic acid, HL = 3-(2-pyridyl)pyrazole) was synthesized under hydrothermal conditions and characterized by single-crystal X-ray diffraction, powder XRD, IR, TGA, fluorescence spectrum and elemental analysis techniques. Complex 1 belongs to the monoclinic system, P21/c space group, with a = 8.8732(4), b = 17.5179(7), c = 17.8123(7) ?, β = 103.1830(10)°, V = 2695.77(19) ?3 and Z = 2. It features a 2D network constructed by BTC and L ligand. In addition, we analyzed Natural Bond Orbital(NBO) by using the PBE0/LANL2DZ method built in Gaussian 09 Program. The calculation results indicated obvious covalent interactions between the coordinated atoms and Cd(Ⅱ) ion.

关键词： coordination polymer synthesis crystal structure cadmium complex natural bond orbital

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基础设施投资的资源错配效应研究

改革 2019年第7期 62-72页

作者：潘雅茹高红贵武汉科技大学文法与经济学院中南财经政法大学经济学院

利用2008~2017年我国30个省(区、市)的面板数据,在分别测算各省(区、市)资本错配指数和劳动力错配指数的基础上,采用系统GMM方法考察基础设施投资对资本和劳动力错配的纠正程度。研究发现:一般性基础设施投资有助于降低资本和劳动力错... 详细信息

利用2008~2017年我国30个省(区、市)的面板数据,在分别测算各省(区、市)资本错配指数和劳动力错配指数的基础上,采用系统GMM方法考察基础设施投资对资本和劳动力错配的纠正程度。研究发现:一般性基础设施投资有助于降低资本和劳动力错配指数,而科技型基础设施投资在一定程度上加剧了资本和劳动力错配;基础设施投资对资源错配的影响并不是简单的线性关系,而是随着基础设施投资的调整表现出显著的非线性特征,其中,科技型基础设施投资对资本和劳动力错配均呈现先加剧后改善的非线性关系,一般性基础设施投资对资本错配则呈现先改善后恶化的非线性特征;分地区估计结果表明,基础设施投资对资源错配的影响存在显著的区域异质性。

关键词：基础设施投资资本错配劳动力错配区域异质性

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新型基础设施投资对服务业转型升级的影响

改革 2022年第7期 94-105页

作者：潘雅茹顾亨达武汉科技大学文法与经济学院

新型基础设施投资是我国推动经济结构转型升级的重要保障。估算狭义和广义新型基础设施投资存量,利用系统广义矩估计方法考察两个口径下新型基础设施投资对服务业产业结构合理化和产业结构高度化的影响。结果显示,新型基础设施投资对服... 详细信息

新型基础设施投资是我国推动经济结构转型升级的重要保障。估算狭义和广义新型基础设施投资存量,利用系统广义矩估计方法考察两个口径下新型基础设施投资对服务业产业结构合理化和产业结构高度化的影响。结果显示,新型基础设施投资对服务业产业结构升级具有正向影响作用;在作用机制方面,新型基础设施投资通过提升劳动效率和促进技术创新来推动服务业转型升级;分地区研究显示,新型基础设施投资对服务业转型升级的影响具有区域异质性。促进服务业转型升级,应优化调整基础设施投资结构,加大新型基础设施投资规模,提升服务业劳动效率和技术创新能力,实现新型基础设施区域投资平衡。

关键词：新型基础设施服务业升级区域异质性

区域城镇化差异对FDI空间集聚的影响——基于省级面板数据的GMM估计

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华东经济管理 2015年第2期29卷 55-60页

作者：潘雅茹罗良文中南财经政法大学经济学院湖北武汉430073

随着我国进入城镇化高速发展的新时期,城镇化逐渐展现出其开放性的特点,其对FDI的空间分布具有较大的影响作用。文章利用全国30个省级城市2004-2013年的面板数据,运用广义矩动态面板模型分析城镇化水平区域差异对我国FDI空间分布的影响... 详细信息

随着我国进入城镇化高速发展的新时期,城镇化逐渐展现出其开放性的特点,其对FDI的空间分布具有较大的影响作用。文章利用全国30个省级城市2004-2013年的面板数据,运用广义矩动态面板模型分析城镇化水平区域差异对我国FDI空间分布的影响。结果表明,人口城镇化水平在中部地区与FDI呈显著正向关系、产业城镇化水平在东、中、西地区对FDI均呈现明显负向影响,土地城镇化水平对东部和中部地区FDI的数量和分布产生显著正向影响。因此,本研究有利于从城镇化的角度,制定合理的外商引资政策,在推进城镇化建设的过程中,缩小FDI区域分布的差异。

关键词：城镇化水平外商直接投资动态效应区域差异

城镇化、FDI与中国居民消费波动——基于省级面板数据的实证研究

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华东经济管理 2015年第8期29卷 83-88页

作者：罗良文潘雅茹中南财经政法大学经济学院湖北武汉430073

文章利用2003-2014年全国30个省市面板数据,采用动态面板广义矩模型,从城镇化综合评价体系出发,实证分析城镇化与FDI对居民消费增长的影响作用。研究发现:全国层面上城镇化水平对居民消费增长有显著促进作用,不同地区人口城镇化、产业... 详细信息

文章利用2003-2014年全国30个省市面板数据,采用动态面板广义矩模型,从城镇化综合评价体系出发,实证分析城镇化与FDI对居民消费增长的影响作用。研究发现:全国层面上城镇化水平对居民消费增长有显著促进作用,不同地区人口城镇化、产业城镇化和土地城镇化对居民消费增长的影响有明显差异;FDI对居民消费增长存在正向作用,其影响存在地区差异且具有滞后性;城镇化与FDI的交互作用对促进居民消费呈显著正向作用。

关键词：城镇化 FDI 居民消费 GMM