Skip to main content
SpringerLink
Log in

Geometry and models in chemistry

  • Editorial
  • Published:
Structural Chemistry Aims and scope Submit manuscript

Abstract

Geometry is an important ingredient in the chemical sciences and especially in structural chemistry. It is closely related to modeling, which is a favorite epistemological tool in chemistry. In the history of chemistry, simple geometrical models have often preceded sound experimental elucidation of structures. A series of examples are presented that include gas-phase electron diffraction; the origin of molecular mechanics; estimation of experimental error in quantum chemical computations; qualitative models of molecular structures; symmetry-lowering effects; biological macromolecules; and chirality.

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

Fig. 1
Fig. 2
Fig. 3
Fig. 4
Fig. 5
Fig. 6
Fig. 7
Fig. 8
Fig. 9

References

  1. Wigner EP (1967) City Hall Speech—Stockholm, 1963. In: Wigner EP (ed) Symmetries and reflections: scientific essays of Eugene P Wigner. Indiana University Press, Bloomington and London, 262 pp

  2. Hargittai I (2002) Learning symmetry from Eugene P. Wigner. In: Marx G (ed) Eugene Paul Wigner Centennial. Roland Eötvös Physical Society, Budapest, pp 124–143

  3. Hargittai M, Hargittai I (2009, 2010) Symmetry through the eyes of a chemist, 3rd edn. Springer

  4. Hargittai I, Hargittai M (2010) Electron diffraction theory and methods. In: Lindon J, Tranter G, Koppenaal D (eds) Encyclopedia of spectroscopy and spectrometry, 2nd edn, vol 1. Elsevier, Oxford, pp 461–465

  5. Hargittai M, Hargittai I (2010) Electron diffraction applications. In: Lindon J, Tranter G, Koppenaal D (eds) Encyclopedia of spectroscopy and spectrometry, 2nd edn, vol 1. Elsevier, Oxford, pp 456–460

  6. Hargittai I (2008) Struct Chem 19:361

    Article  CAS  Google Scholar 

  7. Hargittai I (2000) Frank H Westheimer. In: Hargittai M (ed) Candid science: conversations with famous chemists. Imperial College Press, London, pp 38–53 (the actual quotation is on pp 41–42)

  8. Hill TL (1946) On steric effects. J Chem Phys 14:465

    Google Scholar 

  9. Westheimer FH, Mayer JE (1946) The theory of the racemization of optically active derivatives of diphenyl. J Chem Phys 14:733

    Google Scholar 

  10. Hargittai I (2000) John A Pople. In: Hargittai M (ed) Candid science: conversations with famous chemists. Imperial College Press, London, pp 178–189 (the actual quotation is on pp 182–183)

  11. Hargittai I (2009) Struct Chem 20:155–159

    Article  CAS  Google Scholar 

  12. Hargittai I, Menyhárd D (2010) J Mol Struct 978:136–140

    Article  CAS  Google Scholar 

  13. Gillespie RJ, Hargittai I (1991) The VSEPR model of molecular geometry. Allyn & Bacon, Boston

    Google Scholar 

  14. Hargittai M, Kolonits M, Tremmel J, Fourquet J-L, Ferey G (1990) Struct Chem 1:75

    Article  CAS  Google Scholar 

  15. MacKenzie M, Kolonits M, Hargittai M (2000) Struct Chem 11:203

    Article  CAS  Google Scholar 

  16. Hargittai, Hargittai (1992) Int J Quantum Chem 44:1057–1067

    Article  CAS  Google Scholar 

  17. Domenicano A, Hargittai I (eds) (1992) Accurate molecular structures. Oxford University Press, Oxford, UK

    Google Scholar 

  18. Hargittai M (2009) Struct Chem 20:21–30

    Article  CAS  Google Scholar 

  19. Hargittai M (2009) Acc Chem Res 42:453–462

    Article  CAS  Google Scholar 

  20. Lucretius De rerum natura (Copley FO, translator (1977) The nature of things, Book VI, p 72, lines 1084–1086. WW Norton & Co, New York)

  21. Polya G (1924) Z Kristallogr 60:278–282

    Google Scholar 

  22. Hargittai I (2010) J Mol Struct 976:81–86

    Article  CAS  Google Scholar 

  23. Hargittai I (2008) Struct Chem 19:551–552

    Article  CAS  Google Scholar 

  24. Hargittai I (2010) Struct Chem 21:1–7

    Article  CAS  Google Scholar 

  25. Chargaff E (1950) Experientia 6:201–209

    Article  Google Scholar 

  26. Hargittai I (2002) Aaron Klug. In: Hargittai M (ed) Candid science II: conversations with famous biomedical scientists. Imperial College Press, London, pp 306–329 (the actual quotation is on p 312)

  27. Arnott A (1999) Polynucleotide secondary structures: an historical perspective. In Neidle S (ed) Oxford handbook of nucleic acid structure. Oxford University Press, New York, pp 1–38 (the actual discussion is on p 9)

Download references

Acknowledgment

I thank Magdolna Hargittai for her constructive criticism of the first draft of this Editorial.

Author information

Authors and Affiliations

  1. Materials Structure and Modeling Research Group of the Hungarian Academy of Sciences, Department of Inorganic and Analytical Chemistry, Budapest University of Technology and Economics, PO Box 91, 1521, Budapest, Hungary

    István Hargittai

Authors
  1. István Hargittai
    View author publications

    You can also search for this author in PubMed Google Scholar

Corresponding author

Correspondence to István Hargittai.

Additional information

This editorial is based on an invited talk by the author for the seminar series “Mathematical Modeling” of the Mathematical Institute, Budapest University of Technology and Economics, on November 9, 2010.

Rights and permissions

Reprints and permissions

About this article

Cite this article

Hargittai, I. Geometry and models in chemistry. Struct Chem 22, 3–10 (2011). https://doi.org/10.1007/s11224-010-9660-4

Download citation

  • Published:

  • Issue Date:

  • DOI: https://doi.org/10.1007/s11224-010-9660-4

Keywords

Search

Navigation