Effect of Strong Intermolecular Interaction in 2D Inorganic Molecular Crystals

Author(s):  
Xin Feng ◽  
Xingliang Peng ◽  
Baixin Peng ◽  
Zexin Li ◽  
Wentao Huang ◽  
...  

1986 ◽  
Vol 175 (3) ◽  
pp. 651-658 ◽  
Author(s):  
H.-J. Freund ◽  
J. Rogozik ◽  
V. Dose ◽  
M. Neumann




2015 ◽  
Vol 645-646 ◽  
pp. 252-258 ◽  
Author(s):  
Qing Ma ◽  
Mao Ping Wen ◽  
Bao Hui Zheng ◽  
Heng Jian Huang ◽  
Da Bin Liu ◽  
...  

Intermolecular interaction of mononitrotoluenes (MNs) plasticizer with 2,4,6-trinitrotoluene (TNT) and 1,3,5-trinitrohexahydro-1,3,5-triazine (RDX) was experimentally and theoretically investigated. The basis set superposition error (BSSE) and interaction energy of TNT, RDX and plasticizers were computed at MP2/6-311++G** levels. Compared with the weak Einterbetween RDX and TNT (−1.586 kJ/mol), Einterbetween the o-nitrotoluene and TNT and RDX can increase to −131.557 kJ/mol and −48.487 kJ/mol, indicating there is strong intermolecular-interaction. SEM imagines also show that mononitrotoluene could form layered deposits in TNT and closely surround RDX crystalline. MD simulation results indicate that tensile modulus of (100) TNT and (100) RDX increases when introducing mononitrotoluene plasticizers separately, which agree with the experimental phenomenon of Brazilian disk test.



1984 ◽  
Vol 114 ◽  
pp. 253-256
Author(s):  
G.V. Klimusheva ◽  
M.A. Kravers ◽  
L.P. Yatsenko


CrystEngComm ◽  
2014 ◽  
Vol 16 (16) ◽  
pp. 3376-3386 ◽  
Author(s):  
Francisco Fernández-Palacio ◽  
Jimmy Restrepo ◽  
Santos Gálvez ◽  
Pilar Gómez-Sal ◽  
Marta E. G. Mosquera

The OH group in the ring hampers the generation of CPs due to the formation of strong intermolecular interaction motifs.



1976 ◽  
Vol 29 (9) ◽  
pp. 1899 ◽  
Author(s):  
S Mitra ◽  
CL Raston ◽  
AH White

The crystal structure of the title compound, [Fe(CS2NBu2)3],C6H6, has been determined at 295 K from diffractometer data and refined by least squares to a residual of 0.071 for 3077 'observed' reflections. Crystals are orthorhombic, Pncn, a = 23.660(9), b = 17.331(7), c = 10.349(9) �. Unlike the unsolvated derivative, the present compound has a magnetic moment of 3.6 B.M. at 295 K. Its molecular symmetry is 2, (FeS) being 2.34, �. The role of the benzene solvent, at a lattice site, is not indicative of any strong intermolecular interaction.



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