Skip to content
Licensed Unlicensed Requires Authentication Published by De Gruyter February 20, 2024

Synthesis, crystal structure, DFT calculations, and Hirshfeld surface analysis of a chlorido-bridged 1D manganese(II) coordination polymer

  • Chao Feng EMAIL logo , Linlin Zhu and Jing-Jing Guo

Abstract

A novel 1D Mn(II) coordination polymer, namely, [Mn3(bpz)2(MeCN)2Cl6] n (1) was synthesized by a solvothermal method based on bpz and MnCl2, where bpz is di(1H-pyrazol-1-yl)methane. The X-ray diffraction data show that the crystal structure of complex 1 is a one-dimensional polymer with two different coordination modes of the Mn(II) ions. The structure was modelled with Density Functional Theory (DFT) calculations and the intermolecular interactions were analyzed using the Hirshfeld surface method.


Corresponding author: Chao Feng, School of Materials and Chemical Engineering, Bengbu University, Bengbu 233030, P.R. China, E-mail:

  1. Research ethics: None declared.

  2. Author contributions: All the authors have accepted responsibility for the entire content of this submitted manuscript and approved submission.

  3. Competing interests: The authors declare no conflicts of interest regarding this article.

  4. Research funding: This work was supported by Anhui Provincial Engineering Laboratory of Silicon-based Materials, New Energy Materials and Device Innovation Team of Bengbu University, the excellent innovative scientific research team of silicon based materials(2022AH010101), Excellent Young Talents Foundation in Universities of Anhui Province (gxyq2022109), Natural Science in Universities of Anhui Province (KJ2021A1124, 2023AH040363) and Industry-University-Research Collaboration of Bengbu University (00012370, 00012869, 00012870, 00012876, 00012873, 00013322).

  5. Data availability: Not applicable.

References

1. Zhang, S. H., Wang, J. M., Zhang, H. Y., Fan, Y. P., Xiao, Y. Dalton Trans. 2017, 46, 410–419; https://doi.org/10.1039/c6dt04059d.Search in Google Scholar PubMed

2. Yang, L., Huang, Q. P., Zhang, C. L., Zhao, R. X., Zhang, S. H. Supramol. Chem. 2014, 26, 81–87; https://doi.org/10.1080/10610278.2013.824084.Search in Google Scholar

3. Cai, G., Cui, P., Shi, W., Morris, S., Lou, S. N., Chen, J., Ciou, J. H., Paidi, V. K., Lee, K. S., Li, S., Lee, P. S. Adv. Sci. 2020, 7, 1903109; https://doi.org/10.1002/advs.201903109.Search in Google Scholar PubMed PubMed Central

4. You, C., Wu, H., Wang, M., Zhang, Y., Wang, J., Luo, Y., Zhai, L., Sun, B., Zhang, X., Zhu, J. Chem. Eur. J. 2017, 23, 5352–5360; https://doi.org/10.1002/chem.201700059.Search in Google Scholar PubMed

5. Xue, C., Zhang, S. X., Zeng, F. L., Dong, H., Ma, S. H., Luo, Y. H. Adv. Mater. Technol. 2023, 8, 2201188; https://doi.org/10.1002/admt.202201188.Search in Google Scholar

6. Sánchez, G., Serrano, J. L., de Arellano, M. C. R., Pérez, J., López, G. Polyhedron 2000, 19, 1395–1046.10.1016/S0277-5387(00)00427-7Search in Google Scholar

7. Tang, L., Wang, Z., Wang, J. Chin. J. Org. Chem. 1999, 19, 442–447.Search in Google Scholar

8. Martins, L. M., PombeiroCoord, A. J. L. Coord. Chem. Rev. 2014, 265, 74–88; https://doi.org/10.1016/j.ccr.2014.01.013.Search in Google Scholar

9. Reger, D. L., Gardinier, J. R., Pellechia, P. J., Smith, M. D., Brown, K. J. Inorg. Chem. 2003, 42, 7635–7643; https://doi.org/10.1021/ic034631g.Search in Google Scholar PubMed

10. Pershina, E. A., Burlutskiy, N. P., Pavlov, D. I., Ryadun, A. A., Fedin, V. P., Potapov, A. S. Russ. J. Coord. Chem. 2022, 48, 601–607; https://doi.org/10.1134/s1070328422100049.Search in Google Scholar

11. Frisch, M. J., Trucks, G. W., Schlegel, H. B., Scuseria, G. E., Robb, M. A., Cheeseman, J. R., Scalmani, G., Barone, V., Mennucci, B., Petersson, G. A., Nakatsuji, H., Caricato, M., Li, X., Hratchian, H. P., Izmaylov, A. F., Bloino, J., Zheng, G., Sonnenberg, J. L., Hada, M., Ehara, M., Toyota, K., Fukuda, R., Hasegawa, J., Ishida, M., Nakajima, T., Honda, Y., Kitao, O., Nakai, H., Vreven, T., Montgomery, J. A.Jr., Peralta, J. E., Ogliaro, F., Bearpark, M., Heyd, J. J., Brothers, E., Kudin, K. N., Staroverov, V. N., Kobayashi, R., Normand, J., Raghavachari, K., Rendell, A., Burant, J. C., Iyengar, S. S., Tomasi, J., Cossi, M., Rega, N., Millam, J. M., Klene, M., Knox, J. E., Cross, J. B., Bakken, V., Adamo, C., Jaramillo, J., Gomperts, R., Stratmann, R. E., Yazyev, O., Austin, A. J., Cammi, R., Pomelli, C., Ochterski, J. W., Martin, R. L., Morokuma, K., Zakrzewski, V. G., Voth, G. A., Salvador, P., Dannenberg, J. J., Dapprich, S., Daniels, A. D., Farkas, Ö., Foresman, J. B., Ortiz, J. V., Cioslowski, J., Fox, D. J. Gaussian 09, (Revision E.01); Gaussian, Inc.: Wallingford CT (USA), 2016.Search in Google Scholar

12. Atay, C. K., Tilki, T., Dede, B. J. Mol. Liq. 2018, 269, 315–326; https://doi.org/10.1016/j.molliq.2018.08.009.Search in Google Scholar

13. Mohammadi, A., Khalili, B., Haghayegh, A. S. Spectrochim. Acta A 2019, 222, 117193; https://doi.org/10.1016/j.saa.2019.117193.Search in Google Scholar PubMed

14. Spackman, M. A., Jayatilaka, D. CrystEngComm 2009, 11, 19–32; https://doi.org/10.1039/b818330a.Search in Google Scholar

15. Spackman, P. R., Turner, M. J., McKinnon, J. J., Wolff, S. K., Grimwood, D. J., Jayatilaka, D., Spackman, M. A. J. Appl. Crystallogr. 2021, 54, 1006–1011; https://doi.org/10.1107/s1600576721002910.Search in Google Scholar PubMed PubMed Central

16. Wolff, S. K., Grimwood, D. J., McKinnon, J. J., Turner, M. J., Jayatilaka, D., Spackman, M. A. CrystalExplorer (Version 3.1); University of Western Australia: Crawley, Western Australia, 2013; pp. 2005–2013.Search in Google Scholar

17. Feng, C., Guo, J. J., Li, Z. Q., Khan, A. Mol. Cryst. Liq. Cryst. 2023, 756, 118–124; https://doi.org/10.1080/15421406.2022.2119737.Search in Google Scholar

18. Xie, W. N., Hua, F. Z., Feng, C., Jiang, Y. H., Zhao, H. Inorg. Chem. Commun. 2020, 119, 108124; https://doi.org/10.1016/j.inoche.2020.108124.Search in Google Scholar

19. Sheldrick, G. M. Acta Crystallogr. 2008, A64, 112–122.10.1107/S0108767307043930Search in Google Scholar PubMed

Received: 2023-12-02
Accepted: 2024-01-14
Published Online: 2024-02-20
Published in Print: 2024-02-26

© 2024 Walter de Gruyter GmbH, Berlin/Boston

Downloaded on 30.4.2024 from https://www.degruyter.com/document/doi/10.1515/znb-2023-0103/html
Scroll to top button