A Generalization of the Effective-Charge Concept: Dynamical Multipoles in Molecular Solids and Liquids

2002 ◽  
Author(s):  
Alfredo Pasquarello
Keyword(s):  
Effective Charge ◽  
Molecular Solids

Principles of time resolved cars studies of molecular solids

1985 ◽  
Vol 82 ◽  
pp. 153-158 ◽  
Author(s):  
S.P. Velsko ◽  
R.M. Hochstrasser
Keyword(s):  
Molecular Solids ◽  
Time Resolved

A Robust, Porous and Solution-Processable Molecular Crystal Containing Multiple Donor-Acceptor Units

2019 ◽  
Author(s):  
Shengxian Cheng ◽  
Xiaoxia Ma, ◽  
Yonghe He ◽  
Jun He ◽  
Matthias Zeller ◽  
...  
Keyword(s):  
Molecular Crystal ◽  
Bulk Sample ◽  
Intermolecular Forces ◽  
Close Packing ◽  
Molecular Solids ◽  
Molecular Scaffold ◽  
Excellent Thermal Stability ◽  
Crystalline Order ◽  
Donor Acceptor ◽  
Open Packing

We report a curious porous molecular crystal that is devoid of the common traits of related systems. Namely, the molecule does not rely on directional hydrogen bonds to enforce open packing; and it offers neither large concave faces (i.e., high internal free volume) to frustrate close packing, nor any inherently built-in cavity like in the class of organic cages. Instead, the permanent porosity (as unveiled by the X-ray crystal structure and CO<sub>2</sub> sorption studies) arises from the strong push-pull units built into a Sierpinski-like molecule that features four symmetrically backfolded (<b>SBF</b>) side arms. Each side arm consists of the 1,1,4,4-tetracyanobuta-1,3-diene acceptor (TCBD) coupled with the dimethylaminophenyl donor, which is conveniently installed by a cycloaddition-retroelectrocyclization (CA-RE) reaction. Unlike the poor/fragile crystalline order of many porous molecular solids, the molecule here readily crystallizes and the crystalline phase can be easily deposited into thin films from solutions. Moreover, both the bulk sample and thin film exhibit excellent thermal stability with the porous crystalline order maintained even at 200 °C. The intermolecular forces underlying this robust porous molecular crystal likely include the strong dipole interactions and the multiple C···N and C···O short contacts afforded by the strongly donating and accepting groups integrated within the rigid molecular scaffold.

Determination of the effective charge on muonium during its reaction in aqueous solution

1979 ◽  
Vol 6 (1-4) ◽  
pp. 409-412 ◽  
Author(s):  
Y. C. Jean ◽  
J. H. Brewer ◽  
D. G. Fleming ◽  
D. M. Garner ◽  
D. C. Walker
Keyword(s):  
Aqueous Solution ◽  
Effective Charge

Efficient spatial charge separation in unique 2D tandem heterojunction CdxZn1−xIn2S4–CdS–MoS2 rendering highly-promoted visible-light-induced H2 generation

2021 ◽  
Vol 9 (1) ◽  
pp. 482-491
Author(s):  
Jiakun Wu ◽  
Bowen Sun ◽  
Hui Wang ◽  
Yanyan Li ◽  
Ying Zuo ◽  
...  
Keyword(s):  
Visible Light ◽  
Charge Separation ◽  
Effective Charge ◽  
Active Sites ◽  
H2 Generation ◽  
Highly Efficient ◽  
Spatial Charge

Unique 2D heterostructures CdxZn1−xIn2S4–CdS–MoS2 with effective charge separation, excellent light-harvest, and abundant active sites are highly-efficient for photocatalytic H2 evolution.

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