Evaluation of Intermolecular Weak Binding Through the Zero‐Field Splitting of an Endofullerene High‐Spin Probe

Q Qi Xiong (Department of Materials Science and Engineering) J Jia‐Yue Yuan (Spin‐X Institute School of Chemistry and Chemical Engineering Guangdong‐Hong Kong‐Macao Joint Laboratory of Optoelectronic and Magnetic Functional Materials State Key Laboratory of Luminescent Materials and Devices South China University of Technology Guangzhou 511442 China) Y You‐Chao Liu (Spin‐X Institute School of Chemistry and Chemical Engineering Guangdong‐Hong Kong‐Macao Joint Laboratory of Optoelectronic and Magnetic Functional Materials State Key Laboratory of Luminescent Materials and Devices South China University of Technology Guangzhou 511442 China) Y Yao‐Sheng Zhang (College of Science Hunan Key Laboratory of Mechanism and Technology of Quantum Information National University of Defense Technology Changsha 410000 China) Z Zhi‐Rong Wu (Spin‐X Institute School of Chemistry and Chemical Engineering Guangdong‐Hong Kong‐Macao Joint Laboratory of Optoelectronic and Magnetic Functional Materials State Key Laboratory of Luminescent Materials and Devices South China University of Technology Guangzhou 511442 China) X Xing‐Quan Tao (Spin‐X Institute School of Chemistry and Chemical Engineering Guangdong‐Hong Kong‐Macao Joint Laboratory of Optoelectronic and Magnetic Functional Materials State Key Laboratory of Luminescent Materials and Devices South China University of Technology Guangzhou 511442 China) C Cong‐Hui Wu (Spin‐X Institute School of Chemistry and Chemical Engineering Guangdong‐Hong Kong‐Macao Joint Laboratory of Optoelectronic and Magnetic Functional Materials State Key Laboratory of Luminescent Materials and Devices South China University of Technology Guangzhou 511442 China) X Xin‐Yu Hui (Spin‐X Institute School of Chemistry and Chemical Engineering Guangdong‐Hong Kong‐Macao Joint Laboratory of Optoelectronic and Magnetic Functional Materials State Key Laboratory of Luminescent Materials and Devices South China University of Technology Guangzhou 511442 China) S Song Gao Y Ye‐Xin Wang (Quantum Science Center of Guangdong‐Hong Kong‐Macao Greater Bay Area Shenzhen‐Hong Kong International Science and Technology Park NO.3 Binglang Road Futian District, Shenzhen Guangdong 518045 China) S Shen Zhou S Shang‐Da Jiang (Spin‐X Institute School of Chemistry and Chemical Engineering Guangdong‐Hong Kong‐Macao Joint Laboratory of Optoelectronic and Magnetic Functional Materials State Key Laboratory of Luminescent Materials and Devices Guangdong Basic Research Center of Excellence for Functional Molecular Engineering South China University of Technology Guangzhou China)

Abstract

Abstract Weak binding between molecules is becoming a renowned aspect of molecular engineering, offering an alternative to the tuning of conventional chemical bonds. However, the subtle nature of these interactions poses challenges for characterization using standard techniques. Herein, an efficient method of weak binding characterization based on the zero‐field splitting of a high‐spin probe by electron paramagnetic resonance is presented. Using endofullerene as the high spin center, we achieved direct comparison of the weak binding strengths in F‐MTPP (M = H 2 , Zn, Ni, and Pd) and 2F‐3MTPP (M = H 2 , Ni, Pd, and Pt) through the zero‐field splitting parameters. The high‐spin resonance spectrum is sensitive to the small variation in the supramolecular structure. By examining fullerene–porphyrin co‐crystals with various metal centers and packing arrangements, the relation between intermolecular weak binding and microstructural strain on the fullerene cage is elucidated.

Article Details

Volume / Issue Vol. 64, Issue 26
Published June 24, 2025
ISSN 1433-7851
Publisher Wiley

Journal Info

Angewandte Chemie International Edition

Wiley

ISSN: 1433-7851 Physical Sciences

Authors (12)

Q

Qi Xiong

Department of Materials Science and Engineering

J

Jia‐Yue Yuan

Spin‐X Institute School of Chemistry and Chemical Engineering Guangdong‐Hong Kong‐Macao Joint Laboratory of Optoelectronic and Magnetic Functional Materials State Key Laboratory of Luminescent Materials and Devices South China University of Technology Guangzhou 511442 China

Y

You‐Chao Liu

Spin‐X Institute School of Chemistry and Chemical Engineering Guangdong‐Hong Kong‐Macao Joint Laboratory of Optoelectronic and Magnetic Functional Materials State Key Laboratory of Luminescent Materials and Devices South China University of Technology Guangzhou 511442 China

Y

Yao‐Sheng Zhang

College of Science Hunan Key Laboratory of Mechanism and Technology of Quantum Information National University of Defense Technology Changsha 410000 China

Z

Zhi‐Rong Wu

Spin‐X Institute School of Chemistry and Chemical Engineering Guangdong‐Hong Kong‐Macao Joint Laboratory of Optoelectronic and Magnetic Functional Materials State Key Laboratory of Luminescent Materials and Devices South China University of Technology Guangzhou 511442 China

X

Xing‐Quan Tao

Spin‐X Institute School of Chemistry and Chemical Engineering Guangdong‐Hong Kong‐Macao Joint Laboratory of Optoelectronic and Magnetic Functional Materials State Key Laboratory of Luminescent Materials and Devices South China University of Technology Guangzhou 511442 China

C

Cong‐Hui Wu

Spin‐X Institute School of Chemistry and Chemical Engineering Guangdong‐Hong Kong‐Macao Joint Laboratory of Optoelectronic and Magnetic Functional Materials State Key Laboratory of Luminescent Materials and Devices South China University of Technology Guangzhou 511442 China

X

Xin‐Yu Hui

Spin‐X Institute School of Chemistry and Chemical Engineering Guangdong‐Hong Kong‐Macao Joint Laboratory of Optoelectronic and Magnetic Functional Materials State Key Laboratory of Luminescent Materials and Devices South China University of Technology Guangzhou 511442 China

S

Song Gao

Y

Ye‐Xin Wang

Quantum Science Center of Guangdong‐Hong Kong‐Macao Greater Bay Area Shenzhen‐Hong Kong International Science and Technology Park NO.3 Binglang Road Futian District, Shenzhen Guangdong 518045 China

S

Shen Zhou

S

Shang‐Da Jiang

Spin‐X Institute School of Chemistry and Chemical Engineering Guangdong‐Hong Kong‐Macao Joint Laboratory of Optoelectronic and Magnetic Functional Materials State Key Laboratory of Luminescent Materials and Devices Guangdong Basic Research Center of Excellence for Functional Molecular Engineering South China University of Technology Guangzhou China