Results 101 to 110 of about 68,348 (275)

Crystal structure of tetrabutylammonium bromide–1,2-diiodo-3,4,5,6-tetrafluorobenzene–dichloromethane (2/2/1)

Acta Crystallographica Section E: Crystallographic Communications, 2015
The crystallization of a 1:1 molar solution of 1,2-diiodo-3,4,5,6-tetrafluorobenzene (o-DITFB) and tetrabutylammonium bromide (n-Bu4NBr) from dichloromethane yielded pure white crystals of a halogen-bonded compound, C16H36N+·Br−·C6F4I2·0.5CH2Cl2 or [(n ...
Jasmine Viger-Gravel, Ilia Korobkov, David L. Bryce   +2 more
doaj   +1 more source

Marked influence of the nature of chemical bond on CP-violating signature in molecular ions $\mathrm{HBr}^{+}$ and $\mathrm{HI}^{+}$

, 2004
Heavy polar molecules offer a great sensitivity to the electron Electric Dipole Moment(EDM). To guide emerging searches for EDMs with molecular ions, we estimate the EDM-induced energy corrections for hydrogen halide ions $\mathrm{HBr}^{+}$ and $\mathrm ...
A. Dalgarno, Andrei Derevianko, Boris Ravaine, H. Lefebvre-Brion, I. B. Khriplovich, I. I. Bigi, R. Stutz, Sergey G. Porsev   +7 more
core   +1 more source

Halogen bonds 4: The strongest (?) halogen bond.

, 2014
Continuing my hunt, here is a candidate for a strong(est?) halogen bond, this time between Se and I.[cite]10.1021/ic50038a006[/cite]. The features of interest include: The six-membered ring is in the chair conformation.
openaire   +1 more source

Transparent Perovskite Light‐Emitting Diodes with Conductive Oxide Top Electrodes

Advanced Materials, EarlyView.
Transparent perovskite light‐emitting diodes (TrPeLEDs) enable simultaneous display and transparency, expanding application possibilities. Using a metal oxide buffer layer and pulsed laser deposition, TrPeLEDs with diverse compositions and architectures are demonstrated.
Michele Forzatti, Sergio Martínez‐Saiz, Morena Cervino, Edoardo Stanzani, Sandra Jenatsch, Qingsen Zeng, Joo Sung Kim, Dong‐Hyeok Kim, Eojin Yoon, Tae‐Woo Lee, Daniel Tordera, Henk J. Bolink   +11 more
wiley   +1 more source

Quantum and Thermal Phase Transitions of Halogen-Bridged Binuclear Transition-Metal Complexes

, 2001
Aiming to settle the controversial observations for halogen-bridged binuclear transition-metal (MMX) complexes, finite-temperature Hartree-Fock calculations are performed for a relevant two-band Peierls-Hubbard model.
Bellitto C., Bellitto C., Borshch S. A., Butler L. G., Che C. M., Clark R. J. H., Conradson S. D., Ikeda R., Jim S., Kimura N., Kitagawa H., Kurmoo M., Kuwabara M., Okamoto H., Okamoto H., Sakai K., Stein P., Stroud M. A., Swanson B. I., Toftlund H., Toriumi K., Wada Y., Yamamoto S., Yamamoto S., Yamashita M., Yamashita M.   +25 more
core   +1 more source

Data‐Driven Discovery of Quaternary Ammonium Interlayers for Efficient and Thermally Stable Perovskite Solar Cells

Advanced Materials, EarlyView.
An active learning framework, grounded in independently generated in‐house experimental data, enables reliable discovery of high‐performance interfacial materials for perovskite solar cells. Iterative model refinement autonomously converges toward structurally robust quaternary ammonium architectures, establishing a new design principle for interfacial
Jongbeom Kim, Yang Jeong Park, Chaehoon Jeon, Nahye Shin, Jaewang Park, Seungun Lee, Jino Im, Sungroh Yoon, Sang Il Seok   +8 more
wiley   +1 more source

New‐Era Polymer Thermoelectrics: Material Innovations, Doping Frontiers, Decoupling Strategies, and Unconventional Applications

Advanced Materials, EarlyView.
The field of polymer thermoelectrics is entering a new era, featuring breakthroughs in addressing the conventional performance disparity between p‐type and n‐type polymers, pioneering doping frontiers, and sophisticated decoupling strategies. This review explores innovations in molecular design and superior stabilities, bridging the gap from ...
Suhao Wang
wiley   +1 more source

Fracturing graphene by chlorination: a theoretical viewpoint

, 2012
Motivated by the recent photochlorination experiment [B. Li et al., ACS Nano 5, 5957 (2011)], we study theoretically the interaction of chlorine with graphene.
Harju, A., Havu, P., Ijäs, M.
core   +1 more source

Clustomesogen Showing Sub‐Zero Liquid Crystal Properties: Supramolecular Assembly Between Cs2[Mo6Ii8(OCOC2F5)6] and Hexaethylenoxide Containing Mesogenic Dimers

Advanced Materials, EarlyView.
Associating a red‐NIR phosphorescent octahedral hexanuclear molybdenum cluster compound with hexaethyleneoxide chains bearing mesogenic units on both ends leads to an emissive hybrid liquid crystal showing mesomorphism on a very unusual temperature range down to −25°C.
Killiann Heinz, Jeanne Rebours, Zoulikha Zerrouqi, Noée Dumait, Maria Amela‐Cortes, Nikolai Scheuring, Sara Simonovska, Sebastian Marino, Max Ebert, Stéphane Cordier, Sabine Laschat, Yann Molard   +11 more
wiley   +1 more source

Noncovalent Interactions between 1,3,5-Trifluoro-2,4,6-triiodobenzene and a Series of 1,10-Phenanthroline Derivatives: A Combined Theoretical and Experimental Study

Crystals, 2019
How many strong C−I⋯N halogen bonds can one 1,3,5-trifluoro-2,4,6-triiodobenzene molecule form in a crystal structure? To answer this question, we investigated in detail the noncovalent interactions between 1,3,5-trifluoro-2,4,6-triiodobenzene and ...
Yu Zhang, Jian-Ge Wang, Weizhou Wang
doaj   +1 more source