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

2013 ◽  
Vol 49 (56) ◽  
pp. 6298 ◽  
Author(s):  
Goutam Kumar Kole ◽  
Raghavender Medishetty ◽  
Lip Lin Koh ◽  
Jagadese J. Vittal
Keyword(s):  
Solid State ◽  
Cycloaddition Reaction ◽  
Coordination Complex ◽  
Π Interactions

Tuning the configuration of the flexible metal–alkene-framework affords pure cycloisomers in solid state photodimerization

2021 ◽  
Author(s):  
Yong Wang ◽  
Meng-Fan Wang ◽  
David James Young ◽  
Hua Zhu ◽  
Fei-Long Hu ◽  
...  
Keyword(s):  
Solid State ◽  
Cycloaddition Reaction ◽  
Guest Molecules ◽  
Flexible Metal

The bulkiness of the guest molecules influences the conformations of the ligand and the final outcomes of the cycloaddition reaction.

A Photoluminescent Au(I)/Ag(I)/PNN coordination complex for Relatively Rapid and Reversible Alcohol Sensing

2021 ◽  
Author(s):  
Yanhui Tao ◽  
Yuwei Wang ◽  
Shengnan Hu ◽  
David James Young ◽  
Chengrong Lu ◽  
...  
Keyword(s):  
Molecular Weight ◽  
Coordination Complex ◽  
Trinuclear Complex ◽  
Low Molecular Weight ◽  
Radiative Relaxation ◽  
Π Interactions

Trinuclear complex [Au2Ag(dppmaphen)2(CN)2]PF6 photoluminesces on exposure to low molecular weight alcohols. This emission is likely due to C-H···π interactions between the analyte and –PPh2 group, that inhibits non-radiative relaxation of...

(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.

scholarly journals 1,1,4,4-Tetracyanobutadiene-Functionalized Anthracenes: Regioselectivity of Cycloadditions in the Synthesis of Small Near-IR Dyes

2020 ◽  
Author(s):  
Clotilde Philippe ◽  
Anh Thy Bui ◽  
Sabrinah Batsongo-Boulingui ◽  
ziemowit Pokladek ◽  
Katarzyna Matczyszyn ◽  
...  
Keyword(s):  
Solid State ◽  
Dft Calculations ◽  
Cycloaddition Reaction ◽  
Diels Alder ◽  
Reaction Sequence ◽  
Near Ir

<p>Two small 1,1,4,4-tetracyanobutadiene-functionalized chromophores were obtained by careful leverage of the regioselectivity of the cycloaddition reaction of tetracyanoethylene with anthracene-ynamide derivatives, inducing either a [2+2] or a [4+2] Diels–Alder process. DFT calculations unraveled the mechanism of the [2+2] cycloaddition-retroelectrocyclization reaction sequence with ynamides and elucidated the differing mechanisms in the two substrates. The synthesized dyes presented panchromatic absorption extending into the near-IR, and far-red/near-IR photoluminescence in the solid-state up to 1550 nm.</p>

Incorporating Ester Functionality within a Solid-State [2 + 2] Cycloaddition Reaction Based Upon Halogen Bonding Interactions

2020 ◽  
Vol 20 (3) ◽  
pp. 1969-1974 ◽  
Author(s):  
Samantha J. Kruse ◽  
Eric Bosch ◽  
Fayeshun Brown ◽  
Ryan H. Groeneman
Keyword(s):  
Solid State ◽  
Cycloaddition Reaction ◽  
Halogen Bonding

Regioselective [2 + 2] cycloaddition reaction within a pair of polymorphic co-crystals based upon halogen bonding interactions

CrystEngComm ◽  
2019 ◽  
Vol 21 (43) ◽  
pp. 6671-6675 ◽  
Author(s):  
Eric Bosch ◽  
Samantha J. Kruse ◽  
Eric W. Reinheimer ◽  
Nigam P. Rath ◽  
Ryan H. Groeneman
Keyword(s):  
Solid State ◽  
Cycloaddition Reaction ◽  
Halogen Bonding

A pair of photoreactive polymorphic co-crystals that undergo a regioselective solid-state [2 + 2] cycloaddition reaction that yields exclusively the head-to-tail photoproduct is reported.

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.

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.

Solid‐State Photochemical [2+2] Cycloaddition Reaction of Mn II Complexes

2019 ◽  
Vol 25 (44) ◽  
pp. 10394-10399 ◽  
Author(s):  
Khushboo Yadava ◽  
Jagadese J. Vittal
Keyword(s):  
Solid State ◽  
Cycloaddition Reaction
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