Rong‐Lin Zhong

Jilin University

Author Statistics

Papers

Citation

H-Index

i-10 index

Research Trends

Author Order

Document Type

Co-Authors

Zhong‐Min Su

Jilin University

Hong‐Liang Xu

Northeast Normal University

Shi‐Ling Sun

First Affiliated Hospital of Henan University

Shigeyoshi Sakaki

Kyoto University

Fuk Yee Kwong

Chinese University of Hong Kong

Kin Boon Gan

Chinese University of Hong Kong

Yoshiaki Nakao

Nihon Kohden (Japan)

Yuto Shimazaki

Kyoto University

Yusuke Kuroda

Kyoto University

Zhibo Li

Qingdao University of Science and Technology

Cooperative Institutions

Jilin University

Northeast Normal University

Chinese Academy of Sciences

Nanjing University of Chinese Medicine

State Council of the People's Republic of China

Jilin Medical University

Faculty (United Kingdom)

State Key Laboratory of Supramolecular Structure and Materials

Jiangsu Provincial Academy of Traditional Chinese Medicine

Qingdao University of Science and Technology

Author Statistics

Papers

Citation

H-Index

i-10 index

Research Field

CCDC 2171986: Experimental Crystal Structure Determination

The Cambridge Structural Database (2023)

Kaixin Zhang Jianxiong Xu Jinxiang Xiao Rong‐Lin Zhong Jizhen Li

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

10.5517/ccdc.csd.cc2bx42h

Cite

Citations (0)

The polar 2e/12c bond in phenalenyl-azaphenalenyl hetero-dimers: Stronger stacking interaction and fascinating interlayer charge transfer

The Journal of Chemical Physics (2016)

Rong‐Lin Zhong Hong‐Liang Xu Zhi‐Ru Li

An increasing number of chemists have focused on the two-electron/multicenter bond (2e/mc) that was first introduced to interpret the bonding mechanism of radical dimers. Herein, we report the polar two-electron/twelve center (2e/12c) bonding character in a series of phenalenyl-azaphenalenyl radical hetero-dimers. Interestingly, the bonding energy of weaker polar hetero-dimer (P-TAP) is dominated by the overlap of the two different singly occupied molecular orbital of radicals, while that of stronger polar hetero-dimer (P-HAP) is dominated by the electrostatic attraction. Results show that the difference between the electronegativity of the monomers plays a prominent role in the essential attribution of the polar 2e/12c bond. Correspondingly, a stronger stacking interaction in the hetero-dimer could be effectively achieved by increasing the difference of nitrogen atoms number between the monomers. It is worthy of note that an interesting interlayer charge transfer character is induced in the polar hetero-dimers, which is dependent on the difference between the electronegativity of the monomers. It is our expectation that the new knowledge about the bonding nature of radical hetero-dimers might provide important information for designing radical based functional materials with various applications.

Electronegativity

Chemical polarity

10.1063/1.4960340

Cite

Citations (9)

The encapsulated lithium effect of Li@C60Cl8 remarkably enhances the static first hyperpolarizability

RSC Advances (2013)

Lijie Wang Shi‐Ling Sun Rong‐Lin Zhong Yan Liu Donglai Wang

Recently, C60Cl8 (C2v) has been experimentally synthesized (Y.-Z. Tan, et al., Nat. Mater., 2008, 7, 790) by the addition of eight chlorine atoms to C60 (C2v), which is associated with a Stone–Wales transformation of C60 (Ih). In this work, the first hyperpolarizabilities (βtot) of C60 (C2v) and C60Cl8 (C2v) are investigated. After the Stone–Wales transformation and chlorine addition reaction, the βtot values slightly increase from 0 for C60 (Ih) to 60 au for C60 (C2v) and 502 au for C60Cl8 (C2v), respectively. To further enhance the first hyperpolarizability, the endohedral fullerene derivative, Li@C60Cl8, formed by encapsulating a lithium (Li) atom inside the C60Cl8, has been designed. Interestingly, the electron transfer between Li and C60Cl8 leads to an extremely large βtot value of 25 569 au, which is considerably larger (51 times) than the 502 au of C60Cl8. It shows that the encapsulated Li effect plays an important role in enhancing the first hyperpolarizability, so the Li@C60Cl8 can be considered as a candidate for high-performance nonlinear optical materials.

Hyperpolarizability

Chlorine atom

Lithium atom

10.1039/c3ra40909k

Cite

Citations (20)

Dynamic Control of Asymmetric Charge Distribution for Electrocatalytic Urea Synthesis

Advanced Materials (2024)

Xin Zhang Hao Sun Yirong Wang Zhan Shi Rong‐Lin Zhong

Abstract Constructing dual catalytic sites with charge density differences is an efficient way to promote urea electrosynthesis from parallel and CO 2 reduction yet still challenging in static system. Herein, a dynamic system is constructed by precisely controlling the asymmetric charge density distribution in an Au‐doped coplanar Cu 7 clusters‐based 3D framework catalyst (Au@cpCu 7 CF). In Au@cpCu 7 CF, the redistributed charge between Au and Cu atoms changed periodically with the application of pulse potentials switching between −0.2 and −0.6 V and greatly facilitated the electrosynthesis of urea. Compared with the static condition of pristine cpCu 7 CF (FE urea = 5.10%), the FE urea of Au@cpCu 7 CF under pulsed potentials is up to 55.53%. Theoretical calculations demonstrated that the high potential of −0.6 V improved the adsorption of * HNO 2 and * NH 2 on Au atoms and inhibited the reaction pathways of by‐products. While at the low potential of −0.2 V, the charge distribution between Au and Cu atomic sites facilitated the thermodynamic C–N coupling step. This work demonstrated the important role of asymmetric charge distribution under dynamic regulation for urea electrosynthesis, providing a new inspiration for precise control of electrocatalysis.

Charge control

10.1002/adma.202408510

Cite

Citations (1)

The Effect of the different spin multiplicity on nonlinear optical properties of lithium decahydroborate dimers

Journal of Molecular Modeling (2014)

Yong Li Hong‐Liang Xu Rong‐Lin Zhong Shi‐Ling Sun Zhong‐Min Su

Decaborane

Hyperpolarizability

Multiplicity (mathematics)

10.1007/s00894-014-2415-1

Cite

Citations (0)

Second-Order Nonlinear Optical Responses and Concave–Convex Interactions of Size-Selective Fullerenes/Corannulene Recognition Pairs: The Effect of Fullerene Size

The Journal of Physical Chemistry C (2016)

Li Wang Wenyong Wang Rong‐Lin Zhong Yong‐Qing Qiu Haiming Xie

The size-selective formation of eight molecular recognition pairs between the host corannulene and fullerene guest of various size have been studied by taking advantage of concave–convex π–π interactions. Herein, the structures, binding interactions, electronic absorption spectra, and first hyperpolarizabilities have been explored using density functional theory calculations. It is found that with the aim to maximize the concave–convex shape complementarity, the base of fullerene can be modified at certain angles with the central ring plane of C20H10 (0° for complexes 1–4 and 46°, 34°, 19°, and 5° for complexes 5–8, respectively). The interaction energies depend linearly on the convex surface area and the size of the fullerene sphere. Further, the results of first hyperpolarizabilities show that the shape of the fullerene is the dominant factor for complexes 1–4 because of the intramolecular charge transfer (CT) within fullerene cage. Among them, complex 4 presents the largest βtot value as 5.64 × 10–30 esu because of the more obvious intramolecular CT from the upper part to the bottom part of the C70 cage, derived from the larger height of the cage. On the other hand, low-lying CT character accounts for a large part of the first hyperpolarizability. The achieved understanding provides the prospect of size-selective strategy for enhancing the concave–convex interaction and second order nonlinear optical response in the recognition of fullerenes.

Corannulene

Hyperpolarizability

10.1021/acs.jpcc.6b09065

Cite

Citations (10)

Evidence of Amine–CO₂ Interactions in Two Pillared‐Layer MOFs Probed by X‐ray Crystallography

Chemistry - A European Journal (2015)

Xiao‐Li Hu Qihan Gong Rong‐Lin Zhong Xin‐Long Wang Chao Qin

Abstract Two pillared‐layer metal–organic frameworks (MOFs; PMOF‐55 and NH 2 ‐PMOF‐55) based on 1,2,4‐triazole and terephthalic acid (bdc)/NH 2 ‐bdc ligands were assembled and display framework stabilities, to a certain degree, in both acid/alkaline solutions and toward water. They exhibit high CO 2 uptakes and selective CO 2 /N 2 adsorption capacities, with CO 2 /N 2 selectivity in the range of 24–27, as calculated by the ideal adsorbed solution theory method. More remarkably, the site and interactions between the host network and the CO 2 molecules were investigated by single‐crystal X‐ray diffraction, which showed that the main interaction between the CO 2 molecules and PMOF‐55 is due to multipoint supramolecular interactions of CH⋅⋅⋅O, C⋅⋅⋅O, and O⋅⋅⋅O. Amino functional groups were shown to enhance the CO 2 adsorption and identified as strong adsorption sites for CO 2 by X‐ray crystallography.

10.1002/chem.201406495

Cite

Citations (40)

Exploration of the Synergistic Effect in a One-Component Lewis Pair System: Serving as a Dual Initiator and Catalyst in the Ring-Opening Polymerization of Epoxides

ACS Catalysis (2022)

Xiaowu Wang Jiwen Hui Minmin Shi Xinhui Kou Xiaoxiao Li

Ring-opening polymerization (ROP) is a powerful approach to prepare well-defined polymers. Herein, a one-component Lewis pair strategy was adopted, and two delicate Lewis pairs 1–2 were rationally designed and conveniently synthesized. Lewis pairs 1–2 featured an electropositive phosphonium cation, two electrophilic boron centers involving two 9-borabicyclo[3.3.1]nonane moieties, and a nucleophilic halide (Br– or I–). Lewis pair 1–2-mediated ROP of propylene oxide (PO) exhibited activity (turnover frequency = 3600 h–1) with a living characteristic and low catalyst feeding (0.003 mol %) and afforded an extremely high-molecular-weight α-halide/ω-OH polypropylene oxide (PPO, Mn = 489.5 kg/mol) under mild conditions (−30 to 0 °C). We highlight the success of the one-component Lewis pair strategy to achieve living PO polymerization and extremely high-molecular-weight PPO attributing to two important factors: better control (less transfer reaction) and rapid polymerization kinetics, which takes full advantage of the unique structures and the synergistic effect of 1–2. A preliminary investigation demonstrated that water can be added to the polymerization setup and served as a chain transfer reagent, leading to a controlled polymerization and producing α-hydroxy/ω-OH PPO. The present study provides an insightful mechanistic understanding of the designed one-component Lewis pair systems in epoxide homopolymerization based on spectroscopic data analysis and density functional theory calculations.

Propylene oxide

Phosphonium

Cyclohexene oxide

Frustrated Lewis pair

10.1021/acscatal.2c02170

Cite

Citations (23)

The stability and nonlinear optical properties: Encapsulation of an excess electron compound LiCN⋯Li within boron nitride nanotubes

Journal of Materials Chemistry (2011)

Rong‐Lin Zhong Hong‐Liang Xu Shabbir Muhammad Ji Zhang Zhong‐Min Su

Excess electron compounds have been proposed to be novel candidates of high-performance nonlinear optical (NLO) materials because of their large static first hyperpolarizabilities (β0). To enhance the stability of an unstable excess electron compound (LiCN⋯Li) with an extremely large β0 value (310196 a.u.), we designed a boron nitride nanotube (BNNT) as a protective shield molecule to encapsulate it (in theory). The stability of LiCN⋯Li was enhanced: the vertical ionization potentials (VIP) of LiCN⋯Li increased after encapsulating. Therefore, by comparison with LiCN⋯Li, the encapsulated complexes are more difficult to oxidize. Significantly, the BNNT encapsulated LiCN⋯Li complex exhibits a considerable β0 value (10645 a.u.), which is significantly (almost 380 times) larger than 28 a.u. of BNNT. Our further investigations into the intrinsic hyperpolarizabilites (βint) of these compounds show that there are clearly dependencies of the NLO response on the transition energy. Furthermore, it is easy to encapsulate LiCN⋯Li from the B-rich edge rather than N-rich edge of BNNT due to the lower energy barrier, which makes our calculations more useful to experimentalists who may try to synthesize these compounds. Knowledge of the encapsulation process of LiCN⋯Li within BNNT provides a new strategy for the design and synthesis of stable high-performance NLO materials.

10.1039/c1jm14358a

Cite

Citations (117)

Evolving Cyclopropenium Derivatives into High-Performance Bifunctional Organocatalysts towards Ring-Opening Alternating Copolymerization

Chunde Wu Xinyuan Song Qiang Han Rong‐Lin Zhong Xiaowu Wang

Bifunctional catalysts, known for their superior activity and selectivity compared to binary systems, hold great promise for ring-opening copolymerization (ROCOP). Here, we present our recent advancements in developing high-performance bifunctional organocatalysts by integrating borane with triamino-cyclopropenium (TAC) derivatives. Specifically, we developed a bifunctional catalyst by conjugating 9-borabicyclo[3.3.1]nonane (9-BBN) with TAC-Cl through an optimized alkyl linker (TB-3). This catalyst exhibited outstanding performance in the controlled ROCOP of epoxides and anhydrides, demonstrating high activity, selectivity, and thermal stability, and outperforming both binary catalytic systems and quaternary ammonium-borane analogues. Notably, further transformation of the TAC moiety into its cyclopropenimine (CPI) derivative led to the creation of a cyclopropenimine-borane bifunctional organocatalyst (CPI-B). The strong yet dissociative intramolecular N-B coordination between the CPI and BBN units imparts remarkable air stability to CPI-B. Additionally, the N/B Lewis pair in CPI-B effectively activates protic initiators, enabling precise control over end-group functionality and polymer topology in ROCOP. These advancements significantly broaden the practical utility of CPI-B in polymer synthesis.

10.26434/chemrxiv-2025-30hgs

Cite

Citations (0)