Results 131 to 140 of about 84,584 (328)

Noncovalent Binding of the Halogens to Aromatic Donors. Discrete Structures of Labile Br\u3csub\u3e2\u3c/sub\u3e Complexes with Benzene and Toluene [PDF]

, 2001
Precise molecular structures resulting from the noncovalent interaction of Br2 with benzene (and toluene) reveal the unusual localized bonding to specific (one or two) carbon centers in prereactive complexes leading directly to the transition states for ...
Kochi, Jay K., Lindeman, Sergey V., Vasilyev, Alexandr V.   +2 more
core   +1 more source

Pressure-induced phase transitions of halogen-bridged binuclear metal complexes R_4[Pt_2(P_2O_5H_2)_4X]nH_2O

, 2001
Recent contrasting observations for halogen (X)-bridged binuclear platinum complexes R_4[Pt_2(P_2O_5H_2)_4X]nH_2O, that is, pressure-induced Peierls and reverse Peierls instabilities, are explained by finite-temperature Hartree-Fock calculations.
B.I. Swanson, C. Bellitto, C. Bellitto, C.-M. Che, D. Baeriswyl, D. Baeriswyl, H. Kitagawa, H. Kitagawa, H. Okamoto, J.T. Gammel, L.G. Butler, M. Kuwabara, M. Kuwabara, M. Kuwabara, M. Kuwabara, M. Yamashita, M.A. Stroud, N. Kimura, R. J. H. Clark, R.J.H. Clark, S. Yamamoto, S. Yamamoto, S.W. Weber-Milbrodt, Shoji Yamamoto   +23 more
core   +1 more source

Kelvin Probe Force Microscopy in Bionanotechnology: Current Advances and Future Perspectives

Advanced Materials, EarlyView.
Kelvin probe force microscopy (KPFM) enables the nanoscale mapping of electrostatic surface potentials. While widely applied in materials science, its use in biological systems remains emerging. This review presents recent advances in KPFM applied to biological samples and provides a critical perspective on current limitations and future directions for
Ehsan Rahimi, Mario Palacios‐Corella, Arjan Mol, Salvador Pané, Josep Puigmartí‐Luis   +4 more
wiley   +1 more source

Lithium halide ion-pair recognition with halogen bonding and chalcogen bonding heteroditopic macrocycles

, 2021
Yuen Cheong Tse, Andrew Docker, Zongyao Zhang, Paul D. Beer   +3 more
openalex   +2 more sources

Science‐Towards‐Technology Breakthrough in CO2 Electroreduction: Multiphysics, Multiscale, and Artificial Intelligence Insights

Advanced Materials, EarlyView.
Electrochemical CO2RR is a key technology for converting CO2 into chemicals, but there remains a gap between “laboratory science” and “engineering practice” in current research. This review establishes a multi‐scale research framework, encompassing atomic‐level characterization, microenvironment regulation, external field‐assisted optimization, and AI ...
Ping Hong, Changfan Xu, Huaping Zhao, Yong Lei   +3 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

Photoresponsive Adaptive Reconfiguration of Single‐Atom Interface With Intermittent Light and Soft Ionic Lattices

Advanced Materials, EarlyView.
We present a photoresponsive platform that integrates SACs with halide perovskite supports, turning perovskite ion mobility, typically a stability concern, into a functional mechanism for light‐regulated self‐repair and reversible atomic reconfiguration. Adaptive metal‐support interactions are established through bandgap‐funnel engineering and the soft
Li Yu, Jui‐Cheng Kao, Yuefeng Zhang, Chun Hong Mak, Yu‐Chieh Lo, Chun‐Wei Pao, Jyh‐Pin Chou, Zhenbin Wang, Ting‐Shan Chan, Hao Ming Chen, Hsien‐Yi Hsu   +10 more
wiley   +1 more source

De Rerum Natura: How Do Halide Perovskites Self‐Heal From Damage?

Advanced Materials, EarlyView.
How can lead‐halide‐perovskites self‐heal after damage from light, heat, mechanical strain, or radiation? We show that reversible chemical defects underly performance losses and recovery, highlighting the roles of halide and proton migration, redox‐driven reactions, and acid‐base equilibria.
Davide Raffaele Ceratti, Gary Hodes, David Cahen   +2 more
wiley   +1 more source

2-Fluorobenzyl (Z)-2-(5-chloro-2-oxoindolin-3-ylidene)hydrazine-1-carbodithioate dimethyl sulfoxide monosolvate

IUCrData
In the title solvate, C16H11ClFN3OS2·C2H6OS, the C=N bond adopts a Z-configuration facilitating the formation of an intramolecular N—H...O hydrogen bond to the carbonyl O atom in an S(6) loop.
Aidan P. McKay, David B. Cordes, Mohd Abdul Fatah Abdul Manan   +2 more
doaj   +1 more source

Extended Assemblies of Ru(bpy)(CO)₂X₂ (X = Cl, Br, I) Molecules Linked by 1,4-Diiodotetrafluoro-Benzene (DITFB) Halogen Bond Donors

Crystals, 2019
The ruthenium carbonyl compounds, Ru(bpy)(CO)2X2 (X = Cl, Br or I) act as neutral halogen bond (XB) acceptors when co-crystallized with 1,4-diiodotetrafluoro-benzene (DITFB).
Xin Ding, Matti Tuikka, Kari Rissanen, Matti Haukka   +3 more
doaj   +1 more source