Home

Citation: WANG Su-Fan, ZHOU Yun-You, YE Shi-Yong, ZHOU Tao, HUANG Yu-Cheng. Probable Configurations and Spectroscopic Properties of the Inclusion Compound of Cucurbit[7]uril and Riboflavin[J]. Acta Physico-Chimica Sinica, ;2010, 26(05): 1417-1422. doi: 10.3866/PKU.WHXb20100527 shu

Probable Configurations and Spectroscopic Properties of the Inclusion Compound of Cucurbit[7]uril and Riboflavin

1.
College of Chemistry and Materials Science, Anhui Normal University, Wuhu 241000, Anhui Province, P. R. China

Received Date: 27 November 2009
Available Online: 3 April 2010

Possible configurations and optical properties of a cucurbit[7]uril (CB7) and riboflavin (VB2) inclusion compound were investigated by density functional theory (DFT).Acomparison was made among the different structures by an analysis of the interaction between the host and guest molecules. The results indicate that riboflavin sits on top of the cucurbit[7]uril molecule with a couple of hydroxyls inserting into the cavity to formH-bonds.We verify theoretically that the inclusion reaction is an exothermal reaction, which supports the findings from the experiment very well. The sequence of stability for the possible inclusion complexes is strong evidence that the interaction between the guest and host molecules and the distortion of the guest and host molecules both contribute to the stability. The bonding energy and stability should be distinguished conceptually. The time-dependent DFT method was used in the excited state calculations to explore the photochemical properties of the inclusion compounds. The component difference for the excited orbitals in the different inclusion complex configurations was compared theoretically. The results show that cucurbit[7]uril causes a red-shift absorption and fluorescence quenching for riboflavin after host-guest inclusion, which strongly support the experimental data.
- Host-guest complex,
- Inclusion compound,
- Cucurbit[7]uril,
- Riboflavin,
- Spectroscopic property
1. [1]
  Ruolin CHENG , Yue WANG , Xiyao NIU , Huagen LIANG , Ling LIU , Shijian LU . Efficient photothermal catalytic CO₂ cycloaddition over W₁₈O₄₉/rGO composites. Chinese Journal of Inorganic Chemistry, 2025, 41(7): 1276-1284. doi: 10.11862/CJIC.20240424
2. [2]
  Wenjie SHI , Fan LU , Mengwei CHEN , Jin WANG , Yingfeng HAN . Synthesis and host-guest properties of imidazolium-functionalized zirconium metal-organic cage. Chinese Journal of Inorganic Chemistry, 2025, 41(1): 105-113. doi: 10.11862/CJIC.20240360
3. [3]
  Huafeng SHI . Construction of MnCoNi layered double hydroxide@Co-Ni-S amorphous hollow polyhedron composite with excellent electrocatalytic oxygen evolution performance. Chinese Journal of Inorganic Chemistry, 2025, 41(7): 1380-1386. doi: 10.11862/CJIC.20240378
4. [4]
  Wei Li , Ze Chang , Meihui Yu , Ying Zhang . Curriculum Ideological and Political Design of Piezoelectricity Measurement Experiments of Coordination Compounds. University Chemistry, 2024, 39(2): 77-82. doi: 10.3866/PKU.DXHX202308004
5. [5]
  Tianyun Chen , Ruilin Xiao , Xinsheng Gu , Yunyi Shao , Qiujun Lu . Synthesis, Crystal Structure, and Mechanoluminescence Properties of Lanthanide-Based Organometallic Complexes. University Chemistry, 2024, 39(5): 363-370. doi: 10.3866/PKU.DXHX202312017
6. [6]
  Kaimin WANG , Na HE , Shiyi LI , Xuling BAI , Weiqing SUN , Yanqing YE , Yulu MA . Synthesis, Hirshfeld surface analysis and properties of two Zn(Ⅱ)/Ni(Ⅱ) coordination polymers. Chinese Journal of Inorganic Chemistry, 2026, 42(1): 55-64. doi: 10.11862/CJIC.20250178
7. [7]
  Xiao SANG , Qi LIU , Jianping LANG . Synthesis, structure, and fluorescence properties of Zn(Ⅱ) coordination polymers containing tetra-alkenylpyridine ligands. Chinese Journal of Inorganic Chemistry, 2024, 40(11): 2124-2132. doi: 10.11862/CJIC.20240158
8. [8]
  Hongjie SHEN , Haozhe MIAO , Yuhe YANG , Yinghua LI , Deguang HUANG , Xiaofeng ZHANG . Synthesis, crystal structure, and fluorescence properties of two Cu(Ⅰ) complexes based on pyridyl ligand. Chinese Journal of Inorganic Chemistry, 2025, 41(5): 855-863. doi: 10.11862/CJIC.20250009
9. [9]
  Wenjuan SHI , Yuxuan LEI , Lei HOU , Yaoyu WANG . Synthesis, structure, and luminescence properties of trinucluear Cu(Ⅰ)-pyrazole complexes containing different substituent groups. Chinese Journal of Inorganic Chemistry, 2026, 42(3): 543-550. doi: 10.11862/CJIC.20250270
10. [10]
  Zhicheng JU , Wenxuan FU , Baoyan WANG , Ao LUO , Jiangmin JIANG , Yueli SHI , Yongli CUI . MOF-derived nickel-cobalt bimetallic sulfide microspheres coated by carbon: Preparation and long cycling performance for sodium storage. Chinese Journal of Inorganic Chemistry, 2025, 41(4): 661-674. doi: 10.11862/CJIC.20240363
11. [11]
  Yaping ZHANG , Tongchen WU , Yun ZHENG , Bizhou LIN . Z-scheme heterojunction β-Bi₂O₃ pillared CoAl layered double hydroxide nanohybrid: Fabrication and photocatalytic degradation property. Chinese Journal of Inorganic Chemistry, 2025, 41(3): 531-539. doi: 10.11862/CJIC.20240256
12. [12]
  Xin MA , Ya SUN , Na SUN , Qian KANG , Jiajia ZHANG , Ruitao ZHU , Xiaoli GAO . A Tb₂ complex based on polydentate Schiff base: Crystal structure, fluorescence properties, and biological activity. Chinese Journal of Inorganic Chemistry, 2024, 40(7): 1347-1356. doi: 10.11862/CJIC.20230357
13. [13]
  Zhaoyang WANG , Chun YANG , Yaoyao Song , Na HAN , Xiaomeng LIU , Qinglun WANG . Lanthanide(Ⅲ) complexes derived from 4′-(2-pyridyl)-2, 2′∶6′, 2″-terpyridine: Crystal structures, fluorescent and magnetic properties. Chinese Journal of Inorganic Chemistry, 2024, 40(8): 1442-1451. doi: 10.11862/CJIC.20240114
14. [14]
  Renjie Xue , Chao Ma , Jing He , Xuechao Li , Yanning Tang , Lifeng Chi , Haiming Zhang . Catassembly in the Host-Guest Recognition of 2D Metastable Self-Assembled Networks. Acta Physico-Chimica Sinica, 2024, 40(9): 2309011-0. doi: 10.3866/PKU.WHXB202309011
15. [15]
  Xiaopei HE , Jing HAN , Zhong YU , Na YE , Yi WAN . Preparation and antimicrobial properties of polyvinyl alcohol composite film based on Ag(Ⅰ) complex. Chinese Journal of Inorganic Chemistry, 2026, 42(3): 531-542. doi: 10.11862/CJIC.20250271
16. [16]
  Yihao Zhao , Jitian Rao , Jie Han . Synthesis and Photochromic Properties of 3,3-Diphenyl-3H-Naphthopyran: Design and Teaching Practice of a Comprehensive Organic Experiment. University Chemistry, 2024, 39(10): 149-155. doi: 10.3866/PKU.DXHX202402050
17. [17]
  Jingwen Wang , Minghao Wu , Xing Zuo , Yaofeng Yuan , Yahao Wang , Xiaoshun Zhou , Jianfeng Yan . Advances in the Application of Electrochemical Regulation in Investigating the Electron Transport Properties of Single-Molecule Junctions. University Chemistry, 2025, 40(3): 291-301. doi: 10.12461/PKU.DXHX202406023
18. [18]
  Shuang Cao , Bo Zhong , Chuanbiao Bie , Bei Cheng , Feiyan Xu . Insights into Photocatalytic Mechanism of H₂ Production Integrated with Organic Transformation over WO₃/Zn_0.5Cd_0.5S S-Scheme Heterojunction. Acta Physico-Chimica Sinica, 2024, 40(5): 2307016-0. doi: 10.3866/PKU.WHXB202307016
19. [19]
  Xinwan Zhao , Yue Cao , Minjun Lei , Zhiliang Jin , Tsubaki Noritatsu . Constructing S-scheme heterojunctions by integrating covalent organic frameworks with transition metal sulfides for efficient noble-metal-free photocatalytic hydrogen evolution. Acta Physico-Chimica Sinica, 2025, 41(12): 100152-0. doi: 10.1016/j.actphy.2025.100152
20. [20]
  Qingtao CHEN , Xiangdong SHI , Xianghai RAO , Jiong LI , Xiaoyun QIN , Yiwen GUAN , Binyan ZOU , Guixia LIU , Fenghua CHEN . Employing polydopamine as an electron bridge to construct an S-scheme heterojunction and flexible film for highly efficient photocatalytic degradation of water pollutants. Chinese Journal of Inorganic Chemistry, 2026, 42(4): 747-759. doi: 10.11862/CJIC.20250286

Get Citation

PDF

XML

Metrics

PDF Downloads(1185)
Abstract views(3017)
HTML views(79)

通讯作者: 陈斌, bchen63@163.com

1.
沈阳化工大学材料科学与工程学院沈阳 110142

Address：Zhongguancun North First Street 2,100190 Beijing, PR China Tel: +86-010-82449177-888

DownLoad: Full-Size Img PowerPoint

Return