Results 311 to 320 of about 6,185,645 (365)

Competition Between π-π and C-H/π Interactions: A Comparison of the Structural and Electronic Properties of Alkoxy-Substituted 1,8-Bis((propyloxyphenyl)ethynyl)naphthalenes.

Chemistry, 2015
The structural and electronic consequences of π-π and C-H/π interactions in two alkoxy-substituted 1,8-bis- ((propyloxyphenyl)ethynyl)naphthalenes are explored by using X-ray crystallography and electronic structure computations. The crystal structure of
B. Carson, Trent M. Parker, E. Hohenstein, G. Brizius, Whitney Komorner, R. King, D. Collard, C. Sherrill   +7 more
semanticscholar   +1 more source

On the encapsulation of hydrocarbon components of natural gas within molecular baskets in water. The role of C-H···π interactions and the host's conformational dynamics in the process of encapsulation.

Chemical Communications, 2014
We examined the encapsulation of CH4, C2H6, C3H8 and iso-C4H10 in water, using four molecular baskets [1]-[4]. The baskets were shown to bind to hydrocarbon gases by forming favourable C-H···π contacts and, concurrently, adjusting the size of their cup ...
Y. Ruan, P. W. Peterson, Christopher M. Hadad, J. Badjić   +3 more
semanticscholar   +1 more source

Nanoscale Evolution of Charge Transport Through C-H···π Interactions.

Journal of the American Chemical Society
C-H···π interactions, a prevalent intermolecular force, play a pivotal role in chemistry, materials science, and life sciences. Despite extensive studies of their influence on intermolecular binding configurations and energetics, their impact on ...
Yu Zhou, Shurui Ji, Yixuan Zhu, Huanhuan Liu, Juejun Wang, Yanxi Zhang, Jie Bai, Xiaohui Li, Jia Shi, Wenqiu Su, Ruiyun Huang, Junyang Liu, Wenjing Hong   +12 more
semanticscholar   +1 more source

C-H···π interactions and the nature of the donor carbon atom.

Journal of Organic Chemistry, 2014
The influence of multiple substituents (F, CH3, NO2, CN, Cl, OH and NH2) on the C-H···π interaction in benzene-ethylene complex was investigated using the estimated CCSD(T) method and complete basis set limit.
B. Mishra, M. Deshmukh, Ramanathan Venkatnarayan   +2 more
semanticscholar   +1 more source

Dimensional matching of polycyclic aromatics with rectangular metallacycles: insertion modes determined by [C-H···π] interactions.

Chemistry, 2013
A family of Pd(II)/Pt(II) dinuclear receptors, designed to give a smooth increase in their cavity lengths (from 7.46-13.78 Å), is presented. Their inclusion complexes with a representative set of polycyclic aromatic substrates (naphthalene, carbazol ...
C. Alvariño, Elena Pía, Marcos D. García, Víctor Blanco, Alberto Fernández, C. Peinador, J. M. Quintela   +6 more
semanticscholar   +1 more source

Supramolecular assemblies of 2-hydroxy-3-naphthoic acid and N-heterocycles via various strong hydrogen bonds and weak X⋯π (X = C–H, π) interactions

, 2015
The analysis of weak interactions, including hydrogen bonds and aromatic stacking interactions, and primary hydrogen bonded synthons in the crystals of 2-hydroxy-3-naphthoic acid with various N-containing cocrystal formers (coformers) is presented ...
Y. Pang, Peiqi Xing, X. Geng, Yujing Zhu, Faqian Liu, Lei Wang   +5 more
semanticscholar   +1 more source

Influence of C-H···π interactions on the solid-state [2+2] cycloaddition reaction of a Ag(I) coordination complex in an inorganic co-crystal.

Chemical Communications, 2013
The C-H···π interaction plays a vital role in directing a single-crystal to single-crystal [2+2] cycloaddition reaction to form an intramolecular head-to-head photodimer compared to an intermolecular head-to-tail photoproduct of 4-styrylpyridine of a Ag ...
G. K. Kole, R. Medishetty, L. Koh, J. Vittal   +3 more
semanticscholar   +1 more source

Binary [Hydrotris(indazol‐1‐yl)borato]metal Complexes, M(Tp4Bo)2[1] with M = Fe, Co, Ni, Cu, and Zn: Electronic Properties and Solvent‐Dependent Framework Structures through C−H···π Interactions

, 2000
The bis[hydrotris(indazol-1-yl)borato]metal complexes [M{HB(C7H5N2)3}2], M(Tp4Bo)2, with M = Fe, Co, Ni, Cu, and Zn have been synthesized and characterized by NMR, IR, UV/Vis, MS, Mossbauer spectrometry (M = Fe) and cyclic voltammetry (M = Fe, Co).
C. Janiak, Savaş Temizdemir, S. Dechert, W. Deck, F. Girgsdies, J. Heinze, M. Kolm, T. Scharmann, Oliver M. Zipffel   +8 more
semanticscholar   +1 more source

Novel solid-state molecular self-assemblies of manganese (II) constructed with flexible-ligands: Influences of π-π and C-H...π interactions on their crystal packing

, 2004
Three supramolecular networks are synthesized by the combination of Mn(II) and flexible ligands [1,2-bis (4-pyridyl) ethane (bpe); 1,3-bis (4-pyridyl) propane (bpp); 4,4‘-bipyridyl disulfide (bpds)], characterized by single-crystal X-ray analysis.
A. Ghosh, D. Ghoshal, T. Lu, G. Mostafa, N. R. Chaudhuri   +4 more
semanticscholar   +1 more source

Intermolecular C−H···O and C−H···π Interactions in the Chloroform Solvate (CH3)3Si−C⋮C−C⋮C−Si(OCH2CH2)3N·2CHCl3: Crystallographic, Spectroscopic, and DFT Studies

, 2001
(CH3)3Si−C⋮C−C⋮C−Si(OCH2CH2)3N·2CHCl3 (3·2CHCl3) was analyzed crystallographically. Each chloroform molecule interacts with diacetylene 3 through one C−H···O contact and one C−H···π contact.
Luc Brunel, F. Carré, and Sylvain G. Dutremez, C. Guérin, F. Dahan, O. Eisenstein, G. Sini   +6 more
semanticscholar   +1 more source