Supramolecular aggregation for manipulating molecular packing by endgroups leading to mechanochromic fluorescence

2021 ◽  
pp. 109668
Author(s):  
Jian Cao ◽  
Hua-Chun Wang ◽  
Xiancheng Ren ◽  
Yun-Xiang Xu
Keyword(s):  
Molecular Packing ◽  
Supramolecular Aggregation

scholarly journals 3-(2-Hydroxyethyl)-3-methyl-1-(4-methylbenzoyl)thiourea

IUCrData ◽  
2016 ◽  
Vol 1 (1) ◽  
Author(s):  
Nazzatush Shimar Jamaludin ◽  
Siti Nadiah Abdul Halim ◽  
Edward R. T. Tiekink
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Dihedral Angle ◽  
Molecular Packing ◽  
Thiourea Derivative ◽  
Supramolecular Aggregation

The title thiourea derivative, C12H16N2O2S, has a twisted conformation with the dihedral angle between the NC(=S)N and O=CC6planes being 35.45 (5)°. The observed conformation allows for an intramolecular N—H...O hydrogen bond. In the molecular packing, supramolecular aggregation is based on hydroxy-O—H...O(carbonyl) hydrogen bonding and leads to supramolecular helical chains along theaaxis; chains are reinforced byN-methylene-C—H...S andN-methyl-C—H...π(arene) interactions. Supramolecular layers in theabplane are formed as a result of tolyl-methyl-C—H...π(arene) interactions.

Stereoisomerization during Molecular Packing

2021 ◽  
pp. 2100986
Author(s):  
Shidang Xu ◽  
Yukun Duan ◽  
Purnima Manghnani ◽  
Kenry ◽  
Chengjian Chen ◽  
...  
Keyword(s):  
Molecular Packing

Unveiling the crystalline packing of Y6 in thin films by thermal induced “backbone-on” orientation

2021 ◽  
Author(s):  
Yiqun Xiao ◽  
Jun Yuan ◽  
Guodong Zhou ◽  
Ka Chak Ngan ◽  
Xinxin Xia ◽  
...  
Keyword(s):  
Thin Films ◽  
Solar Cells ◽  
Organic Solar Cells ◽  
High Performance ◽  
Molecular Packing

Researchers are endeavoring to decode the fundamental reasons for the non-fullerene acceptor, Y6, to deliver high-performance organic solar cells. In this manuscript, we tackle this problem from the molecular packing...

Energetics and Optimal Molecular Packing for Singlet Fission in BN-doped Perylenes: Electronic Adiabatic State Basis Screening

2021 ◽  
Author(s):  
Anurag Singh ◽  
Alexander Humeniuk ◽  
Merle Insa Silja Röhr
Keyword(s):  
Electronic Properties ◽  
Molecular Packing ◽  
Photovoltaic Devices ◽  
Singlet Fission ◽  
Adiabatic State

Singlet fission has the potential to increase the efficiency of photovoltaic devices, but the design of suitable chromophores is notoriously difficult. Both the electronic properties of the monomer and the...

Supramolecular Aggregation of Regioregular Poly(4-alkyl-2,6-quinoline)s

2007 ◽  
Vol 111 (43) ◽  
pp. 12345-12350 ◽  
Author(s):  
S. H. Chen ◽  
Yan Zhu ◽  
Samson A. Jenekhe ◽  
A. C. Su ◽  
S. A. Chen
Keyword(s):  
Regioregular Poly ◽  
Supramolecular Aggregation

Energy Alignment, Molecular Packing, and Electronic Pathways: Zinc(II) Tetraphenylporphyrin Derivatives Adsorbed on TiO2(110) and ZnO(11–20) Surfaces

2012 ◽  
Vol 116 (45) ◽  
pp. 23921-23930 ◽  
Author(s):  
Sylvie Rangan ◽  
Senia Coh ◽  
Robert Allen Bartynski ◽  
Keyur P. Chitre ◽  
Elena Galoppini ◽  
...  
Keyword(s):  
Molecular Packing
Sign in / Sign up

Export Citation Format

Share Document