π-π Interactions: Influence on Molecular Packing and Solid-State Emission of ESIPT and non-ESIPT Motifs

2016 ◽  
Vol 5 (7) ◽  
pp. 938-945 ◽  
Author(s):  
Vikas S. Padalkar ◽  
Daisuke Sakamaki ◽  
Kenji Kuwada ◽  
Akifumi Horio ◽  
Haruka Okamoto ◽  
...  
Keyword(s):  
Solid State ◽  
Molecular Packing ◽  
Π Interactions

Cover Picture: π-π Interactions: Influence on Molecular Packing and Solid-State Emission of ESIPT and non-ESIPT Motifs (Asian J. Org. Chem. 7/2016)

2016 ◽  
Vol 5 (7) ◽  
pp. 834-834 ◽  
Author(s):  
Vikas S. Padalkar ◽  
Daisuke Sakamaki ◽  
Kenji Kuwada ◽  
Akifumi Horio ◽  
Haruka Okamoto ◽  
...  
Keyword(s):  
Solid State ◽  
Molecular Packing ◽  
Π Interactions

(Acetylacetonato-κ2O,O′)[1-(4-bromophenyl-κC2)-3-methylimidazol-2-ylidene-κC2]platinum(II)

2012 ◽  
Vol 68 (8) ◽  
pp. m203-m205 ◽  
Author(s):  
Mario Tenne ◽  
Yvonne Unger ◽  
Thomas Strassner
Keyword(s):  
Hydrogen Bonding ◽  
Solid State ◽  
Intermolecular Hydrogen Bonding ◽  
Coordination Environment ◽  
Π Interactions ◽  
New Class ◽  
Square Planar ◽  
Parallel Fashion

The title platinum(II) complex, [Pt(C10H8BrN2)(C5H7O2)], has a bidentate cyclometallated phenylimidazolylidene ligand and an acetylacetonate spectator ligand, which form a distorted square-planar coordination environment around the PtIIcentre. In the solid state, the molecules are oriented in a parallel fashion by intermolecular hydrogen bonding and π–π and C—H...π interactions, while close Pt...Pt contacts are not observed. The structure is only the second example for this new class of compounds.

Impact of molecular packing rearrangement on solid-state fluorescence: polyhalogenated N-hetarylamines vs. their co-crystals with 18-crown-6

CrystEngComm ◽  
2019 ◽  
Vol 21 (39) ◽  
pp. 5931-5946 ◽  
Author(s):  
Tamara A. Vaganova ◽  
Yurij V. Gatilov ◽  
Enrico Benassi ◽  
Igor P. Chuikov ◽  
Denis P. Pishchur ◽  
...  
Keyword(s):  
Solid State ◽  
Chemical Structure ◽  
Crystal Packing ◽  
Molecular Packing ◽  
Solid State Fluorescence

Relationship between the hetarylamine chemical structure, crystal packing in homo- and co-crystals, and fluorescence effects (quenching, bathochromic and hypsochromic shifts).

scholarly journals The Importance of CH···X (X = O, π) Interaction of a New Mixed Ligand Cu(II) Coordination Polymer: Structure, Hirshfeld Surface and Theoretical Studies

Crystals ◽  
2018 ◽  
Vol 8 (12) ◽  
pp. 455 ◽  
Author(s):  
Saikat Seth
Keyword(s):  
Solid State ◽  
Hydrogen Bonds ◽  
Noncovalent Interactions ◽  
Carbonyl Oxygen ◽  
Hirshfeld Surface ◽  
Mixed Ligand ◽  
Binding Energies ◽  
Zigzag Chain ◽  
X Ray ◽  
Π Interactions

In this study, a new equimolar (1:1:1) mixed ligand Cu(II) polymer, [Cu(IDA)(ImP)]n (1) with iminodiacetato (IDA) and imidazo[1,2-a]-pyridine (ImP) was synthesized and characterized by single crystal X-ray diffraction analysis. X-ray crystallography reveals that compound (1) consists of polymeric zigzag chain along [010] the carboxylate carbonyl oxygen atom by two-fold symmetry screw axis. The solid-state structure is stabilized through C–H···O hydrogen bonds and C–H···π interactions that lead the molecules to generate two-dimensional supramolecular assemblies. The intricate combinations of hydrogen bonds and C–H···π interactions are fully described along with computational studies. A thorough analysis of Hirshfeld surface and fingerprint plots elegantly quantify the interactions involved within the structure. The binding energies associated with the noncovalent interactions observed in the crystal structure and the interplay between them were calculated using theoretical DFT calculations. Weak noncovalent interactions were analyzed and characterized using Bader’s theory of ‘‘atoms-in-molecules’’ (AIM). Finally, the solid-state supramolecular assembly was characterized by the “Noncovalent Interaction” (NCI) plot index.

Tuning cation-binding selectivity and capacity via side chain-dependent molecular packing in the solid state

2016 ◽  
Vol 52 (68) ◽  
pp. 10361-10364 ◽  
Author(s):  
Jie Shen ◽  
Changliang Ren ◽  
Huaqiang Zeng
Keyword(s):  
Solid State ◽  
Molecular Packing ◽  
Cation Binding ◽  
Side Chain ◽  
Binding Selectivity ◽  
Selectivity And Capacity

Cavity-containing macrocycles assemble, via side chain-dependent molecular packing, into various nanostructures able to bind cations in varying selectivities and capacities.

Folded conformations due to arene interactions in dissymmetric and symmetric butylidene-linker models based on pyrazolo[3,4-d]pyrimidine, purine and 7-deazapurine

2014 ◽  
Vol 70 (6) ◽  
pp. 555-561 ◽  
Author(s):  
Kamlakar Avasthi ◽  
Lakshmi Shukla ◽  
Ruchir Kant ◽  
Krishnan Ravikumar
Keyword(s):  
Solid State ◽  
Crystal Structures ◽  
Crystalline State ◽  
Nmr Analysis ◽  
First Report ◽  
Π Interactions ◽  
H Nmr

The butylidene-linker models 1-[2-(2,6-dimethylsulfanyl-9H-purin-9-yl)-2-methylidenepropyl]-4,6-bis(methylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidine, C18H20N8S4, (XI), 7,7′-(2-methylidenepropane-1,3-diyl)bis[3-methyl-2-methylsulfanyl-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one], C20H22N6O2S2, (XIV), and 7-[2-(4,6-dimethylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-1-yl)-2-methylidenepropyl]-3-methyl-2-methylsulfanyl-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one, C19H21N7OS3, (XV), show folded conformations in solution, as shown by1H NMR analysis. This folding carries over to the crystalline state. Intramolecular π–π interactions are observed in all three compounds, but only (XIV) shows additional intramolecular C—H...π interactions in the solid state. As far as can be established, this is the first report incorporating the pyrrolo[2,3-d]pyrimidine nucleus for such a study. In addition to the π–π interactions, the crystal structures are also stabilized by other weak intermolecular C—H...S/N/O and/or S...N/S interactions.

N- and P-Type Building Blocks for Organic Electronics Based on Oligothiophene Cores

2003 ◽  
Vol 771 ◽  
Author(s):  
Antonio Facchetti ◽  
Myung-Han Yoon ◽  
Howard E. Katz ◽  
Melissa Mushrush ◽  
Tobin J. Marks
Keyword(s):  
Organic Semiconductors ◽  
Organic Electronics ◽  
Carrier Mobility ◽  
Building Blocks ◽  
Molecular Packing ◽  
Conjugation Length ◽  
Π Interactions ◽  
P Type ◽  
The Impact ◽  
Homo Lumo

AbstractOrganic semiconductors exhibiting complementary-type carrier mobility are the key components for the development of the field of “gplastic electronics” We present here a novel series of α,ω- and isomerically pure ββ'-diperfluorohexyl-substituted thiophene and study the impact of fluoroalkyl substitution and conjugation length vis-a-vis the corresponding fluorinefree analogues. Trends between the fluorinated and fluorine-free families in molecular packing, HOMO-LUMO gap, and π-π interactions are found to be strikingly similar. TFT measurements indicate that all members of the fluorinated series are n-type semiconductors

Correlation between Solid-State Photophysical Properties and Molecular Packing in a Series of Indane-1,3-dione Containing Butadiene Derivatives

2009 ◽  
Vol 113 (27) ◽  
pp. 11927-11935 ◽  
Author(s):  
N. S. Saleesh Kumar ◽  
Shinto Varghese ◽  
C. H. Suresh ◽  
Nigam P. Rath ◽  
Suresh Das
Keyword(s):  
Solid State ◽  
Photophysical Properties ◽  
Molecular Packing

Halogen bonding and π–π interactions in the solid-state structure of a butadiynylene-linked bis(iodoperfluoroarene)

CrystEngComm ◽  
2013 ◽  
Vol 15 (16) ◽  
pp. 3097 ◽  
Author(s):  
Sebastian M. Walter ◽  
Mohammed G. Sarwar ◽  
Michael G. Chudzinski ◽  
Eberhardt Herdtweck ◽  
Alan J. Lough ◽  
...  
Keyword(s):  
Solid State ◽  
Halogen Bonding ◽  
State Structure ◽  
Solid State Structure ◽  
Π Interactions
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