Article
Chemistry, Multidisciplinary
Matthew C. Scheepers, Andreas Lemmerer
Summary: Seven new multicomponent crystals, including various coformers, were synthesized and analyzed for their overall packing scheme with significant contributions from hydrogen-bonding and weaker intermolecular forces. Hirshfeld surfaces were used to identify these forces, and comparison with structures in the literature was done using the Cambridge Structural Database. The multicomponent crystals were characterized using single-crystal X-ray diffraction and differential scanning calorimetry.
CRYSTAL GROWTH & DESIGN
(2021)
Article
Chemistry, Physical
Qingqing Yang, Qiaozhuo Wu, Xiaolong Zhang, Xin Yang, Qingzhong Li
Summary: The binary complexes of MCO3·HF/XF have been studied using ab initio calculations, and it was found that the carbonyl O atom prefers to engage in a stronger H-bond or X-bond, with the CdCO3 complex showing a stronger interaction. The introduction of a spodium bond further strengthens the H-bond or X-bond.
Article
Chemistry, Multidisciplinary
Daniel A. Decato, Asia Marie S. Riel, James H. May, Vyacheslav S. Bryantsev, Orion B. Berryman
Summary: This paper experimentally quantifies a Hydrogen Bond-Enhanced Halogen Bond (HBeXB) for the first time, showing that electron-rich halogen bond donors are strengthened most by an adjacent hydrogen bond, and stronger hydrogen bond donors enhance the halogen bond the most. X-ray crystal structures and F-19 NMR titrations support the findings, laying the foundation for future studies on hydrogen bonds and halogen bonds in close proximity.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Article
Chemistry, Multidisciplinary
Shaojie Shen, Xinyue Jing, Xueying Zhang, Xiaoyan Li, Yanli Zeng
Summary: By studying the noncovalent interactions involving heteronuclear ethylene analogues, the competition and cooperativity between hydrogen/halogen bond and pi-hole bond can be investigated. Depending on the conditions, the strength of hydrogen/halogen bond may be stronger than that of the pi-hole bond, or vice versa. In systems containing alkali metals, the pi-hole bond is generally stronger than the hydrogen/halogen bond.
JOURNAL OF COMPUTATIONAL CHEMISTRY
(2021)
Article
Chemistry, Physical
Mikio Maseda, Yoshinobu Miyazaki, Toshiyuki Takamuku
Summary: The study investigated the complex formation of boric acid with various hydroxy acids and polyols in aqueous solutions, demonstrating different enthalpic and entropic effects driving the formation of 1:1 and 1:2 complexes in different systems.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Chemistry, Multidisciplinary
Natarajan Sathiyamoorthy Venkataramanan
Summary: Density functional theory calculations and wave functional analysis were used to study the (SO2)n and (SO2)n-H2O clusters, revealing that S-O chalcogen bonds are easier to form than hydrogen bonds, and the reactivity of sulfur dioxide with water increases with cluster size. Strong electrostatic interactions between S and O atoms in the clusters contribute to stability, while weak hydrogen bonds play a cooperative role.
STRUCTURAL CHEMISTRY
(2022)
Review
Chemistry, Organic
Romain Plais, Gilles Clavier, Jean-Yves Salpin, Anne Gaucher, Damien Prim
Summary: Anion recognition is a prominent topic in supramolecular chemistry. Recent years have seen great progress in the design of new anion receptors, and the combination of experimental and theoretical studies has enhanced our understanding of anion complexation processes. This review highlights the use of anion-pi and hydrogen bonds and the concept of cooperativity in anion recognition, with specific examples from current literature.
EUROPEAN JOURNAL OF ORGANIC CHEMISTRY
(2023)
Article
Chemistry, Organic
Timofey D. Moseev, Egor A. Nikiforov, Mikhail V. Varaksin, Valery N. Charushin, Oleg N. Chupakhin
Summary: The study successfully utilized the methodology of nucleophilic substitution of hydrogen to synthesize azaheterocyclic derivatives of phenols of various architectures, resulting in the preparation of 26 novel imidazole-linked polyphenolic compounds. This straightforward method enables the development of novel bifunctional derivatives with both phenolic and imidazole scaffolds, which are of particular interest for versatile applications in medicinal chemistry and materials science.
JOURNAL OF ORGANIC CHEMISTRY
(2021)
Article
Engineering, Chemical
Zibo Yang, Dudu Li, De Ao, Chao Ma, Ning Li, Yuxiu Sun, Zhihua Qiao, Chongli Zhong, Michael D. Guiver
Summary: Mixed matrix membranes (MMMs) combining porous fillers and polymer membranes show promising applications in gas separation. In this study, hydrogen bonding between polyimide (PI) and flexible MIL-53(Al) with large pore size (M53-L) is utilized to rigidify the framework, resulting in PI/M53-L MMMs with enhanced separation performance exceeding the upper bounds for both CO2/N-2 and CO2/CH4.
JOURNAL OF MEMBRANE SCIENCE
(2022)
Article
Chemistry, Multidisciplinary
Nikola Bedekovic, Tomislav Pitesa, Mihael Erakovic, Vladimir Stilinovic, Dominik Cincic
Summary: The influence of perfluorinated halobenzenes as halogen bond donors on their topicity in the solid state was investigated through a database survey and the preparation of novel cocrystals. It was found that under specific conditions, these compounds can exhibit mono-, di-, or tritopic properties. DFT calculations revealed that the binding of a acceptor molecule to one of the iodine atoms of the XB donor reduces the potential for forming further halogen bonds, explaining the observed occurrences of crystal structures where the donors do not achieve their maximal topicity.
CRYSTAL GROWTH & DESIGN
(2022)
Article
Chemistry, Physical
Deepak Patkar, Mini Bharati Ahirwar, Milind M. Deshmukh
Summary: In this study, the strength of different types of hydrogen bonds in mixed solvents was investigated using a molecular tailoring-based approach. The results showed that the ordering of hydrogen bond strengths was different from that in dimers.
Article
Chemistry, Physical
Takeru Kato, Asuka Fujii
Summary: In a hydrogen-bonded system, an excess proton strengthens the surrounding molecules' hydrogen bonds. The study conducted infrared spectroscopy of H+(methanol)(n)-benzene clusters in the gas phase, identifying cluster size and hydrogen-bonded network structure with mass spectrometric techniques and density functional theory calculations. The research found that the physical essence of excess proton solvation by methanol is consistent in both gas and condensed phases.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2021)
Article
Chemistry, Physical
Steve Scheiner
Summary: Open and cyclic chains formed by ICl and IF have been constructed and examined, revealing that closed rings are more stable than open chains, I···F rings are generally more stable than I···I cycles, and I···I rings of at least 8 units can be constructed.
JOURNAL OF PHYSICAL CHEMISTRY A
(2022)
Article
Chemistry, Multidisciplinary
Qunlei Wen, Junyuan Duan, Wenbin Wang, Danji Huang, Youwen Liu, Yongliang Shi, JiaKun Fang, Anmin Nie, Huiqiao Li, Tianyou Zhai
Summary: In this study, we propose a method of manipulating the catalyst-electrolyte interface to enhance alkaline hydrogen evolution activity by introducing local force fields through surface hydroxyl groups. We show that the local hydrogen bond induced by the surface hydroxyl group can drag H2O molecules across the inner Helmholtz plane (IHP) to continuously supply reactants to catalytic sites. Additionally, the hydroxyl group coupled with the Ni/Ni3C heterostructure lowers the water dissociation energy by polarization effects. As a result, hydroxyl-rich catalysts exhibit higher activity than Pt/C at high current density in alkaline medium.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)
Article
Chemistry, Multidisciplinary
Hu Hong, Jiaxiong Zhu, Yiqiao Wang, Zhiquan Wei, Xun Guo, Shuo Yang, Rong Zhang, Huilin Cui, Qing Li, Dechao Zhang, Chunyi Zhi
Summary: Non-metallic ammonium ion (NH4+) batteries have attracted attention due to their low cost, non-toxicity, and environmental sustainability. This study elucidates the solvation interactions between NH4+ and solvents, and proposes design principles for weakly solvated electrolytes. By constructing a weak hydrogen bonded electrolyte, NH4+ ion batteries exhibit superior rate capability and long-term cycling performance.
ADVANCED MATERIALS
(2023)
Article
Biochemical Research Methods
Maureen Stolzer, Katherine Siewert, Han Lai, Minli Xu, Dannie Durand
BMC BIOINFORMATICS
(2015)
Article
Biochemistry & Molecular Biology
Minli Xu, Jeffrey G. Lawrence, Dannie Durand
NUCLEIC ACIDS RESEARCH
(2018)
Article
Biochemical Research Methods
Maureen Stolzer, Han Lai, Minli Xu, Deepa Sathaye, Benjamin Vernot, Dannie Durand
Article
Biochemical Research Methods
Ka Hou Chu, Minli Xu, Chi Pang Li
BMC BIOINFORMATICS
(2009)
Article
Biotechnology & Applied Microbiology
Minli Xu, Zhengchang Su
Article
Biotechnology & Applied Microbiology
Shan Li, Minli Xu, Zhengchang Su
Article
Biochemistry & Molecular Biology
Shaoqiang Zhang, Minli Xu, Shan Li, Zhengchang Su
NUCLEIC ACIDS RESEARCH
(2009)
Article
Multidisciplinary Sciences
Minli Xu, Zhengchang Su