Student Discovery of the Relationship between Molecular Structure, Solubility, and Intermolecular Forces

Author(s):  
Brandi L. Baldock ◽  
Joanna D. Blanchard ◽  
Anthony L. Fernandez
2019 ◽  
Vol 16 (3) ◽  
pp. 236-243 ◽  
Author(s):  
Hui Zhang ◽  
Yibing Ma ◽  
Youyi Sun ◽  
Jialei Liu ◽  
Yaqing Liu ◽  
...  

In this review, small-molecule donors for application in organic solar cells reported in the last three years are highlighted. Especially, the effect of donor molecular structure on power conversion efficiency of organic solar cells is reported in detail. Furthermore, the mechanism is proposed and discussed for explaining the relationship between structure and power conversion efficiency. These results and discussions draw some rules for rational donor molecular design, which is very important for further improving the power conversion efficiency of organic solar cells based on the small-molecule donor.


Author(s):  
V.N. Anisimov ◽  
◽  
V.V. Anisimov

We showed that the development of recommendations for a reasonable choice of linear block copolyurethanes that would be optimal for given operating conditions is still intuitive and does not consider the features of the molecular structure and the nature of initial components. We suggested a new scientifically grounded approach to the creation of linear block-copolyurethanes with increased wear resistance in relation to strength, deformation, thermophysical and tribotechnical characteristics. To simplify analysis of the properties of the studied materials, a mathematical model was developed, which describes the relationship between all considered properties of materials and their structure. We proposed to assess the relationship between structure and properties of the investigated materials by using quality indexes. Maximum values of quality indexes, depending on the operating conditions, correspond to different contents of hard blocks (Pc), and, consequently, to different molecular structure of the studied polyurethanes. Thus, it is reasonable to use block-copolyurethanes based on OBGA500 with a maximum content of hard blocks (Рс>60%) for operating conditions where it is necessary to provide high strength characteristics. Polyurethanes synthesized with the formation of clusters of hard blocks in the range of 45–55% are recommended for the use as wear-resistant materials.


In this work the bile acids and certain of their derivatives have been studied with regard to their bacteriostatic power and relative activities in removing the Gram-positive complex from yeast. No correlation between these properties was obtained. A simple relationship was apparent, however, between the bacteriostatic activities of the compounds and their ability to depress the surface tension of the metabolism medium. The limiting dilution at which the 'active' bile acids were bacteriostatic for Staphylococcus aureus corresponded to a depression of the surface tension of the medium by approximately 4∙5 dynes. The relationship between bacteriostatic power and surface activity was only valid for this particular series of compounds of closely related molecular structure.


2020 ◽  
Vol 247 ◽  
pp. 116681 ◽  
Author(s):  
Yuyue Zhong ◽  
Linsan Liu ◽  
Jianzhou Qu ◽  
Silu Li ◽  
Andreas Blennow ◽  
...  

Crystals ◽  
2020 ◽  
Vol 10 (6) ◽  
pp. 476 ◽  
Author(s):  
Xuan-Dien Luong ◽  
Xuan-Truong Nguyen

A [O,N] bidentate π-expanded ligand system, (E)-1-(n-octylimino)methylpyren-2-ol (2), was newly synthesized via a six-step synthesis from pyrene. The ligand 2 reacts with [PtCl2(PhCN)2] in chlorobenzene and the presence of a base at reflux for 2 h under the formation of (2(Pt)) complex with a yield of 70%. The molecular structure of (2(Pt)), studied by common spectroscopic methods and X-ray diffraction, shows a square planar geometry with a trans-configuration of the ligands. The molecular structure, absorption spectra, electrochemical properties, and phosphorescence characteristics of the (2(Pt)) complex are discussed, emphasizing the comparison with those of the previously reported Pt complex (1(Pt)) containing the isomeric ligands of 2, (E)-2-(n-octylimino)methylpyren-1-ol. The DFT calculations of the two Pt complexes are carried out and exhibit a clear explanation of the relationship between their physico-chemical characteristics.


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