Volumetric, Acoustic and IR Spectroscopic properties of binary mixtures (1, 2-Diaminopropane + methyl-, ethyl-, n-propyl- and n-butyl acetates: a Combined Experimental and First-principles Investigation

2021 ◽  
pp. 118279
Author(s):  
Deepak Parmar ◽  
Cecil H. Botchway ◽  
Nelson Y. Dzade ◽  
Kavitha Kumari ◽  
Sanjeev Maken ◽  
...  
Keyword(s):  
Binary Mixtures ◽  
First Principles ◽  
Spectroscopic Properties ◽  
Methyl Ethyl ◽  
Ir Spectroscopic

First-Principles Study on Structural, Electronic, and Spectroscopic Properties of γ-Ca2SiO4:Ce3+ Phosphors

2015 ◽  
Vol 119 (29) ◽  
pp. 8031-8039 ◽  
Author(s):  
Jun Wen ◽  
Lixin Ning ◽  
Chang-Kui Duan ◽  
Shengbao Zhan ◽  
Yucheng Huang ◽  
...  
Keyword(s):  
First Principles ◽  
Spectroscopic Properties ◽  
First Principles Study

Syntheses, structures and characterization of isomorphous CoII and NiII coordination polymers based on 2-[(1H-imidazol-1-yl)methyl]-6-methyl-1H-benzimidazole and benzene-1,4-dicarboxylate

2017 ◽  
Vol 73 (8) ◽  
pp. 645-651 ◽  
Author(s):  
Qiu-Ying Huang ◽  
Yang Zhao ◽  
Xiang-Ru Meng
Keyword(s):  
Coordination Polymers ◽  
Rational Design ◽  
Three Dimensional ◽  
Spectroscopic Properties ◽  
Polymeric Chain ◽  
Design And Synthesis ◽  
Carboxylate Groups ◽  
Metal Organic ◽  
The One ◽  
Ir Spectroscopic

Careful choice of the organic ligands is one of the most important parameters in the rational design and synthesis of coordination polymers. Aromatic polycarboxylates have been widely used in the preparation of metal–organic polymers since they can utilize various coordination modes to form diverse structures and can act as hydrogen-bond acceptors and donors in the assembly of supramolecular structures. Nitrogen-heterocyclic organic compounds have also been used extensively as ligands for the construction of polymers with interesting structures. In the polymers catena-poly[[[diaquabis{2-[(1H-imidazol-1-yl)methyl]-6-methyl-1H-benzimidazole-κN 3}cobalt(II)]-μ2-benzene-1,4-dicarboxylato-κ2 O 1:O 4] dihydrate], {[Co(C8H4O4)(C12H11N4)2(H2O)2]·2H2O} n , (I), and catena-poly[[[diaquabis{2-[(1H-imidazol-1-yl)methyl]-6-methyl-1H-benzimidazole-κN 3}nickel(II)]-μ2-benzene-1,4-dicarboxylato-κ2 O 1:O 4] dihydrate], {[Ni(C8H4O4)(C12H11N4)2(H2O)2]·2H2O} n , (II), the CoII or NiII ion lies on an inversion centre and exhibits a slightly distorted octahedral coordination geometry, coordinated by two N atoms from two imidazole rings and four O atoms from two monodentate carboxylate groups and two water molecules. The dicarboxylate ligands bridge metal ions forming a polymeric chain. The 2-[(1H-imidazol-1-yl)methyl]-6-methyl-1H-benzimidazole ligands coordinate to the CoII or NiII centres in monodentate modes through an imidazole N atom and are pendant on opposite sides of the main chain. The two structures are isomorphous. In the crystal, the one-dimensional chains are further connected through O—H...O, O—H...N and N—H...O hydrogen bonds, leading to a three-dimensional supramolecular architecture. In addition, the IR spectroscopic properties, PXRD patterns, thermogravimetric behaviours and fluorescence properties of both polymers have been investigated.

Microheterogeneity in binary mixtures of water with CH3OH and CD3OH: ATR-IR spectroscopic, chemometric and DFT studies

2018 ◽  
Vol 197 ◽  
pp. 88-94 ◽  
Author(s):  
Paweł Tomza ◽  
Władysław Wrzeszcz ◽  
Sylwester Mazurek ◽  
Roman Szostak ◽  
Mirosław Antoni Czarnecki
Keyword(s):  
Binary Mixtures ◽  
Dft Studies ◽  
Ir Spectroscopic

Relaxation and IR spectroscopic properties of the CN− stretching mode in silver halides

1995 ◽  
Vol 134 (1-4) ◽  
pp. 341-344
Author(s):  
C. E. Mungan ◽  
U. Happeki ◽  
W. Von Der Osten ◽  
A. J. Severs
Keyword(s):  
Spectroscopic Properties ◽  
Silver Halides ◽  
Ir Spectroscopic

Thermodynamic and spectroscopic properties of binary mixtures of n -butylammonium butanoate ionic liquid with alcohols at T = (293.15–313.15) K

2017 ◽  
Vol 105 ◽  
pp. 238-252 ◽  
Author(s):  
Samara Storion Bittencourt ◽  
Heloisa Emi Hoga ◽  
Ricardo Belchior Torres ◽  
José Vicente Hallak d’Angelo
Keyword(s):  
Ionic Liquid ◽  
Binary Mixtures ◽  
Spectroscopic Properties
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