Skip to main content
SpringerLink
Log in

Crystal Structure and Computational Analysis of a Two-Dimensional Coordination Polymer, BiI3(DppeO2)3/2

  • Published:
Journal of Inorganic and Organometallic Polymers and Materials Aims and scope Submit manuscript

Abstract

Catena-poly[fac-triiodobismuth(III)-tris-(µ-ethane-1,2-diylbis(diphenylphosphane oxide-κ2O,O′))], a 2-D sheet network of BiI3 was synthesized from BiI3 and ethane-1,2-diylbis(diphenylphosphane oxide) (DppeO2) in tetrahydrofuran. The crystal structure revealed a trigonal structure with three-fold symmetry at Bi. Bismuth centers show fac-BiI3O3 coordination, with Bi–I = 2.9416(2) Å and Bi–O = 2.4583(17) Å. The I–Bi–I and O–Bi–O angles (95.520(7)° and 79.04(6)°, respectively) indicate trigonal distortion in the Bi octahedron. Bridging DppeO2 ligands centered on inversion centers give rise to a 2-D sheet polymer. The 8.3 Å thick sheets consist of three layers in a sandwich structure. The outer layers are composed of phenyl rings and BiI3 groups with the iodide atoms pointing outward. The central layer consists of the O=PCH2CH2P=O bridging groups. Computational results suggest that semi-conducting behavior arises from Bi(III) centers. A halide to DppeO2 π* transition is suggested by theoretical results.

This is a preview of subscription content, log in via an institution to check access.

Access this article

Log in via an institution

Price excludes VAT (USA)
Tax calculation will be finalised during checkout.

Instant access to the full article PDF.

Institutional subscriptions

Scheme 1
Fig. 1
Fig. 2
Fig. 3
Fig. 4
Fig. 5
Fig. 6
Fig. 7

Similar content being viewed by others

References

  1. Y. Lei, G. Wang, S. Song, W. Fan, M. Pang, J. Tang, H. Zhang, Dalton Trans. 39, 3273–3278 (2010)

    Article  CAS  Google Scholar 

  2. X. Chang, J. Huang, C. Cheng, Q. Sui, W. Sha, G. Ji, S. Deng, G. Yu, Catal. Commun. 11, 460–464 (2010)

    Article  CAS  Google Scholar 

  3. Y. Wang, K. Deng, L. Zhang, J. Phys. Chem. C 114, 14300–14308 (2011)

    Article  Google Scholar 

  4. N.T. Hahn, S. Hoang, J.L. Self, C.B. Mullins, ACS Nano 6, 7712–7722 (2012)

    Article  CAS  Google Scholar 

  5. X. Zhang, Z. Ai, F. Jia, L. Zhang, J. Phys. Chem. C 112, 747–753 (2008)

    Article  CAS  Google Scholar 

  6. J.C. Ahern, R. Fairchild, J.S. Thomas, J. Carr, H.H. Patterson, Appl. Catal. B 179, 229–238 (2015)

    Article  CAS  Google Scholar 

  7. G.A. Fisher, N.C. Norman, Adv. Inorg. Chem. 41, 233–271 (1994)

    Article  CAS  Google Scholar 

  8. N. Mercier, N. Louvain, W. Bi, CrystEngComm 11, 710–734 (2009)

    Article  Google Scholar 

  9. L.-M. Wu, X.-T. Wu, L. Chen, Coord. Chem. Rev. 253, 2787–2804 (2009)

    Article  CAS  Google Scholar 

  10. S.A. Adonin, M.N. Sokolov, V.P. Fedin, Coord. Chem. Rev. 312, 1–21 (2016)

    Article  CAS  Google Scholar 

  11. F. Lazarini, S. Milicev, Acta Crystallogr. Sect. B 32, 2873–2875 (1976)

    Article  Google Scholar 

  12. W. Clegg, L.I. Farrugia, A. McCamley, N.C. Norman, A.G. Orpen, N.L. Pickett, S.E. Stratford, J. Chem. Soc. Dalton Trans. 2579–2587 (1993)

  13. P.G. Jones, D. Henschel, A. Weitze, A. Blaschette, Z. Anorg. Allg. Chem. 620, 1037–1040 (1994)

    Article  CAS  Google Scholar 

  14. C.J. Carmelt, L.I. Farrugia, N.C. Norman, J. Chem. Soc. Dalton Trans. 443–454 (1996)

  15. C.J. Carmalt, W. Clegg, M.R.J. Elsegood, R.J. Errington, J. Havelock, P. Lightfoot, N.C. Norman, A.J. Scott, Inorg. Chem. 35, 3709–3712 (1996)

    Article  CAS  Google Scholar 

  16. J.R. Eveland, K.H. Whitmire, Inorg. Chim. Acta 249, 41–46 (1996)

    Article  CAS  Google Scholar 

  17. G.A. Bowmaker, J.M. Harrowfield, P.C. Junk, B.W. Skelton, A.H. White, Aust. J. Chem. 51, 285–291 (1998)

    Article  CAS  Google Scholar 

  18. D. Mansfeld, M. Mehring, M. Schürmann, Inorg. Chim. Acta 348, 82–90 (2003)

    Article  CAS  Google Scholar 

  19. D. Mansfeld, C. Dietz, T. Rüffer, P. Ecorchard, C. Georgi, H. Lang, M. Schürmann, K. Jurkschat, M. Mehring, Main Group Met. Chem. 36, 193–208 (2013)

    Article  CAS  Google Scholar 

  20. A.N. Usoltsev, S.A. Adonin, P.A. Abramov, I.V. Korolkov, I.V. Yushina, O.V. Antonova, M.N. Sokolov, V.P. Fedin, Inorg. Chim. Acta 462, 323–328 (2017)

    Article  CAS  Google Scholar 

  21. S.A. Adonin, M.I. Rakhmanova, D.G. Samsonenko, M.N. Sokolov, V.P. Fedin, Inorg. Chim. Acta 450, 232–235 (2016)

    Article  CAS  Google Scholar 

  22. M.A. Tershansy, A.M. Goforth, J.R. Gardinier, M.D. Smith, L. Peterson, H.-C. zur Loye, Solid State Sci. 9, 410–420 (2007)

    Article  CAS  Google Scholar 

  23. A.W. Kelly, A.M. Wheaton, A.D. Nicholas, F.H. Barnes, H.H. Patterson, R.D. Pike, Eur. J. Inorg. Chem. 2017, 4990–5000 (2017)

    Article  CAS  Google Scholar 

  24. F. Marchetti, C. Pettinari, A. Pizzabiocca, A.A. Drozdov, S.I. Troyanov, C.O. Zhuravlev, S.N. Semenov, Y.A. Belousov, I.G. Timokhin, Inorg. Chim. Acta 363, 4038–4047 (2010)

    Article  CAS  Google Scholar 

  25. SAINT PLUS, Bruker Analytical X-ray Systems, Madison, WI (2001)

  26. SADABS, Bruker Analytical X-ray Systems, Madison, WI (2001)

  27. G.M. Sheldrick, Acta Crystallogr. Sect. A 64, 112–122 (2008)

    Article  CAS  Google Scholar 

  28. C.B. Hübschle, G.M. Sheldrick, B. Dittick, J. Appl. Cryst. 44, 1281–1284 (2011)

    Article  Google Scholar 

  29. A.D. Becke, J. Chem. Phys. 9, 5648–5652 (1993)

    Article  Google Scholar 

  30. C. Lee, W. Yang, R.G. Parr, Phys. Rev. B 37, 785–789 (1988)

    Article  CAS  Google Scholar 

  31. H.P. Fuentealba, H. Preuss, L. Stoll, Von, Szentpály, Chem. Phys. Lett. 89, 418–422 (1982)

    Article  CAS  Google Scholar 

  32. M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, G.A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H.P. Hratchian, A.F. Izmaylov, J. Bloino, G. Zheng, J.L. Sonnenberg, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, J.A. Montgomery Jr., J.E. Peralta, F. Ogliaro, M. Bearpark, J.J. Heyd, E. Brothers, K.N. Kudin, V.N. Staroverov, T. Keith, R. Kobayashi, J. Normand, K. Raghavachari, A. Rendell, J.C. Burant, S.S. Iyengar, J. Tomasi, M. Cossi, N. Rega, J.M. Millam, M. Klene, J.E. Knox, J.B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, R.L. Martin, K. Morokuma, V.G. Zakrzewski, G.A. Voth, P. Salvador, J.J. S. Dannenberg, Dapprich, A.D. Daniels, O. Farkas, J.B. Foresman, J.V. Ortiz, J. Cioslowski, D.J. Fox, Gaussian 09, Revision C.01 (Gaussian, Inc., Wallingford, 2010)

  33. R. Bauernschmitt, R. Ahlrichs, Chem. Phys. Lett. 256, 454–464 (1996)

    Article  CAS  Google Scholar 

  34. R.E. Stratmann, G.E. Scuseria, M.J. Frisch, J. Chem. Phys. 109, 8218–8224 (1998)

    Article  CAS  Google Scholar 

  35. M.E. Casida, C. Jamorski, K.C. Casida, D.R. Salahub, J. Chem. Phys. 108, 4439–4449 (1998)

    Article  CAS  Google Scholar 

  36. M.D. Hanwell, D.E. Curtis, D.C. Lonie, T. Vandermeersch, E. Zurek, G.R.J. Hutchison, J. Cheminform. 4, 17 (2012)

    Article  CAS  Google Scholar 

  37. Y.J. Wang, L. Xu, J. Mol. Struct. 875, 570–576 (2008)

    Article  CAS  Google Scholar 

  38. Y.H. Peng, S.F. Sun, Inorg. Chem. Commun. 22, 29–32 (2012)

    Article  CAS  Google Scholar 

  39. A.B. Maurer, K. Hu, G.J. Meyer, J. Am. Chem. Soc. 139, 8066–8069 (2017)

    Article  CAS  Google Scholar 

  40. H.A. Evans, J.G. Labram, S.R. Smock, G. Wu, M.L. Chabinyc, R. Seshadri, F. Wudl, Inorg. Chem. 56, 395–401 (2017)

    Article  CAS  Google Scholar 

  41. X. Huang, S. Huang, P. Biswas, R. Mishra, J. Phys. Chem. C 120, 28924–28932 (2016)

    Article  CAS  Google Scholar 

  42. A.C. Wibowo, M.D. Smith, H.-C. zur Loye, Cryst. Growth Des. 11, 4449–4457 (2011)

    Article  CAS  Google Scholar 

  43. C. Dette, M.A. Pérez-Osorio, C.S. Kley, P. Punke, C.E. Patrick, P. Jacobson, F. Giustino, S.J. Jung, K. Kern, Nano Lett. 14, 6533–6538 (2014)

    Article  CAS  Google Scholar 

  44. J. Tao, T. Luttrell, M.A. Batzill, Nat. Chem. 3, 296–300 (2011)

    Article  CAS  Google Scholar 

Download references

Acknowledgements

X-ray equipment was obtained with support from the NSF (CHE-0443345) and the College of William and Mary. The HHP group thanks the University of Maine Advanced Computing Group for their support and generous allocation of computing resources.

Author information

Authors and Affiliations

  1. Department of Chemistry, College of William and Mary, Williamsburg, VA, 23187-8795, USA

    Andrew W. Kelly, Amelia M. Wheaton & Robert D. Pike

  2. Department of Chemistry, University of Maine, Orono, ME, 04469-5706, USA

    Aaron D. Nicholas & Howard H. Patterson

Authors
  1. Andrew W. Kelly
    View author publications

    You can also search for this author in PubMed Google Scholar

  2. Amelia M. Wheaton
    View author publications

    You can also search for this author in PubMed Google Scholar

  3. Aaron D. Nicholas
    View author publications

    You can also search for this author in PubMed Google Scholar

  4. Howard H. Patterson
    View author publications

    You can also search for this author in PubMed Google Scholar

  5. Robert D. Pike
    View author publications

    You can also search for this author in PubMed Google Scholar

Corresponding author

Correspondence to Robert D. Pike.

Rights and permissions

Reprints and permissions

About this article

Check for updates. Verify currency and authenticity via CrossMark

Cite this article

Kelly, A.W., Wheaton, A.M., Nicholas, A.D. et al. Crystal Structure and Computational Analysis of a Two-Dimensional Coordination Polymer, BiI3(DppeO2)3/2. J Inorg Organomet Polym 28, 528–534 (2018). https://doi.org/10.1007/s10904-018-0806-y

Download citation

  • Received:

  • Accepted:

  • Published:

  • Issue Date:

  • DOI: https://doi.org/10.1007/s10904-018-0806-y

Keywords

Search

Navigation