The structures of in situ pressure-frozen chlorotrimethylsilane crystals, (CH3)3SiCl, have been determined at 0.23, 0.30 and 0.58 GPa. The molecular arrangements in the low-temperature and high-pressure phases are two-dimensionally isostructural, but different in the third perpendicular direction. Consequently, a striking similarity exists between the unit-cell dimensions of these polymorphs. The absence of short Cl...Cl contacts, both in the low-temperature or pressure-frozen phases of (CH3)3SiCl, has been rationalized in terms of the favoured packing patterns and comparable energies of halogen...halogen interactions and other van der Waals forces.
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http://dx.doi.org/10.1107/S0108768105037766 | DOI Listing |
Nano Lett
December 2024
State Key Laboratory of Solidification Processing, Center for Nano Energy Materials, School of Materials Science and Engineering, Northwestern Polytechnical University and Shaanxi Joint Laboratory of Graphene (NPU), Xi'an 710072, P. R. China.
Dion-Jacobson (DJ) perovskites are promising alternatives for Ruddlesden-Popper (RP) perovskites to fabricate blue perovskite light-emitting diodes (PeLEDs) due to their favorable structural and charge properties. However, the relatively weak hydrogen bond between the bridging diammonium group and perovskite poses huge challenges for regulating crystallization and defect density, leading to an undesirable film quality and device performance. Herein, we report the successful optimization of DJ perovskite films by introducing a new type of cesium octafluoroadipate (CsOFAA) precursor, which could strongly anchor the perovskite through coordination bonds and halogen-halogen bonds.
View Article and Find Full Text PDFJ Comput Chem
January 2025
Institute of Chemistry, Saint Petersburg State University, St. Petersburg, Russia.
In the framework of SMD approach a systematic computational study of structural, electronic and thermodynamic properties of molecular complexes of Cl, ICl and I with series of N-containing Lewis bases in solvents of different polarity was carried out. Results indicate that molecular complexes of Cl with strong and medium-strong LB undergo spontaneous ionization in the acetonitrile solution. The increase of the solvent polarity can change the nature of interaction in X'XLB systems from molecular X'X ← LB donor-acceptor complexes to 3-center 4-electron bound X'→X ← LB in solvents of medium polarity and to the contact ion pairs X'→[XLB] in polar solvents.
View Article and Find Full Text PDFACS Appl Mater Interfaces
November 2024
Department of Chemistry, UGC Sponsored-Centre of Advance Studies-II, Guru Nanak Dev University, Amritsar-143005, Punjab, India.
Photosensitizing assemblies based on twisted intramolecular charge transfer (TICT) active donor-acceptor-donor (D-A-D) system having bromine atoms at the periphery have been developed. Through strategic incorporation of bromine atoms at the -position to the nitrogen-carbon bonds of phenyl rings at the periphery, halogen-halogen interactions are induced in nanoassemblies in HO:DMSO (99:1) solution. Hence, the anti-heavy atom effect is induced, and the limitations of TICT (dark excited state) and heavy atom effect (triplet deactivation via radiative decay) could be overcome.
View Article and Find Full Text PDFChem Commun (Camb)
September 2024
Department of Chemistry, Aliah University, New Town, Kolkata 700 156, India.
Herein, we report the synthesis of a Pb(II) based three-dimensional coordination polymer (3D CP), [Pb(DCTP)] (1) [HDCTP = 2,5-dichloroterephthalic acid] with an unprecedented topology, which exhibits a photomechanical effect wherein crystals show jumping upon UV irradiation. The Pb(II) CP forms a type II Cl⋯Cl interaction, which weakens further upon UV irradiation to resolve the anisotropic mechanical strain. The work presented here could be a beacon to the nascent field of photoactuating smart materials.
View Article and Find Full Text PDFRSC Adv
June 2024
Chemistry Department, Kuwait University P.O. Box 5969, Safat 13060 Kuwait +965-2481-6482 +965-2498-5631.
Halogen-halogen interactions play a pivotal role in the formation and stability of supramolecular assemblies. Herein, we investigate the assembly dynamics and dissociation pathways of linear supramolecular polymers based on pillar[5]arene-mediated by guest halogen-halogen interactions (C-X × X-C) in both the solution and solid states. The structure of the solid-state supramolecular assembly was determined by single-crystal X-ray diffraction analysis.
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