Skip to main content
SpringerLink
Log in

Synthesis and DFT Defined trans(O5O6) Molecular Structure of Cs[Fe(1,3-pddadp)] · 2H2O. Strain Analysis and Spectral Assignment of the Complex

  • Published:
Monatshefte für Chemie - Chemical Monthly Aims and scope Submit manuscript

Summary.

An iron(III) complex with the hexadentate ligand 1,3-propanediamine-N,N′-diacetate-N,N′-di-3-propionate (1,3-pddadp) was prepared, chromatographically isolated as its isomer trans(O5O6)-Cs[Fe(1,3-pddadp)] · 2H2O, and characterized. The trans(O5O6) configuration of the iron(III) compound was found to dominate and this geometry was established by means of IR spectroscopy and Density Functional Theory (DFT). Structural data correlating the octahedral geometry of the [Fe(1,3-pddadp)]− unit and an extensive strain analysis are discussed in relation to the information obtained for similar complexes. Antibacterial activities of the free ligand and its corresponding iron(III) complex towards common Gram-negative and Gram-positive bacteria are reported as well.

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

Similar content being viewed by others

References

  • a) Schneppensieper T, Finkler S, Czap A, van Eldik R, Heus M, Nieuwenhuizen P, Wreesmann C, Abma W (2001) Eur J Inorg Chem 491; b) Wolak M, van Eldik R (2002) Coord Chem Rev 230: 263

    Google Scholar 

  • I Shcherbakova M Somdeb RH Beer M Brenowitz (2006) Nucleic Acids Research 34 e48 Occurrence Handle10.1093/nar/gkl055

    Article  Google Scholar 

  • L Changyuan WH Koppenol (2005) J Biol Inorg Chem 10 732 Occurrence Handle10.1007/s00775-005-0019-z

    Article  Google Scholar 

  • a) Buda F, Ensing B, Gribnau MCM, Jan Baerends E (2001) Chem Eur J 7: 2775; (2003) Chem Eur J 9: 3436; b) Pestovsky O, Stoian S, Bominaar EL, Shan X, Münck E, Que L Jr, Bakac A (2005) Angew Chem Int Ed 44: 6871

  • a) Costas M, Mehn MP, Jensen MP, Que L Jr (2004) Chem Rev 104: 939; b) Anderson VE, Ruszczycky MW, Harris ME (2006) Chem Rev 106: 3236

  • T Yamamoto K Mikata K Miyoshi H Yoneda (1988) Inorg Chim Acta 150 237 Occurrence Handle10.1016/S0020-1693(00)90606-6 Occurrence Handle1:CAS:528:DyaL1MXoslemug%3D%3D

    Article  CAS  Google Scholar 

  • JA Weyh RF Hamm (1968) Inorg Chem 7 2431 Occurrence Handle10.1021/ic50069a049 Occurrence Handle1:CAS:528:DyaF1cXltFaqu70%3D

    Article  CAS  Google Scholar 

  • HA Weakliem JL Hoard (1959) J Am Chem Soc 81 549 Occurrence Handle10.1021/ja01512a011 Occurrence Handle1:CAS:528:DyaG1MXlsVehtw%3D%3D

    Article  CAS  Google Scholar 

  • K Okamoto T Tsukihara J Hidaka Y Shimura (1978) Bull Chem Soc Jpn 51 3534 Occurrence Handle10.1246/bcsj.51.3534 Occurrence Handle1:CAS:528:DyaE1MXmsFSjsw%3D%3D

    Article  CAS  Google Scholar 

  • ZD Matović S Ianelli G Pelosi SK Janićijević VM Ristanović G Ponticelli DJ Radanović (2002) Polyhedron 21 2667 Occurrence Handle10.1016/S0277-5387(02)01271-8

    Article  Google Scholar 

  • DJ Radanović (1984) Coord Chem Rev 54 159 Occurrence Handle10.1016/0010-8545(84)85020-1

    Article  Google Scholar 

  • BE Douglas DJ Radanović (1993) Coord Chem Rev 128 139 Occurrence Handle10.1016/0010-8545(93)80027-3 Occurrence Handle1:CAS:528:DyaK3sXmvVCqs7k%3D

    Article  CAS  Google Scholar 

  • S Kaizaki M Byakuno M Hayashi JI Legg K Umakoshi S Ooi (1987) Inorg Chem 26 2395 Occurrence Handle10.1021/ic00262a013 Occurrence Handle1:CAS:528:DyaL2sXks12lsrY%3D

    Article  CAS  Google Scholar 

  • DJ Radanović SR Trifunović MS Cvijović C Maricondi BE Douglas (1992) Inorg Chim Acta 196 161 Occurrence Handle10.1016/S0020-1693(00)86119-8

    Article  Google Scholar 

  • M Parvez C Maricondi DJ Radanović SR Trifunović VD Miletić BE Douglas (1996) Inorg Chim Acta 248 89 Occurrence Handle10.1016/0020-1693(95)04975-4 Occurrence Handle1:CAS:528:DyaK28Xjslyqtrg%3D

    Article  CAS  Google Scholar 

  • U Rychlewska MI Djuran MM Vasojević DD Radanović VM Ristanović DJ Radanović (2002) Inorg Chim Acta 328 218 Occurrence Handle10.1016/S0020-1693(01)00727-7 Occurrence Handle1:CAS:528:DC%2BD38XksVymtQ%3D%3D

    Article  CAS  Google Scholar 

  • DJ Radanović BV Prelesnik DD Radanović ZD Matović BE Douglas (1997) Inorg Chim Acta 262 203 Occurrence Handle10.1016/S0020-1693(97)05524-2

    Article  Google Scholar 

  • RJ Deeth N Fey (2004) J Comput Chem 25 1840 Occurrence Handle10.1002/jcc.20101 Occurrence Handle1:CAS:528:DC%2BD2cXptVyjsr4%3D

    Article  CAS  Google Scholar 

  • AD Becke (1993) J Chem Phys 98 5648 Occurrence Handle10.1063/1.464913 Occurrence Handle1:CAS:528:DyaK3sXisVWgtrw%3D

    Article  CAS  Google Scholar 

  • M Reiher O Salomon BA Hess (2001) Theor Chem Acc 107 48 Occurrence Handle1:CAS:528:DC%2BD38XptV2hsA%3D%3D

    CAS  Google Scholar 

  • M Reiher (2002) Inorg Chem 41 6928 Occurrence Handle10.1021/ic025891l Occurrence Handle1:CAS:528:DC%2BD38Xoslaqtbw%3D

    Article  CAS  Google Scholar 

  • Brewer G, Olida MJ, Schmiedekamp AM, Viragh C, Zavalij PY (2006) Dalton Trans 5617

  • Ghosh A, Tangen E, Ryeng H, Taylor PR (2004) Eur J Inorg Chem 4555

  • Handy NC, Cohen AJ (2001) Molec Phys 99

  • Perdew JP, Burke K, Ernzerhof M (1996) Phys Rev Lett 77: 3865; Erratum 78: 1396

    Google Scholar 

  • M Swart AR Groenhof AW Ehlers K Lammertsma (2004) J Phy Chem A 108 5479 Occurrence Handle10.1021/jp049043i Occurrence Handle1:CAS:528:DC%2BD2cXktlahsrY%3D

    Article  CAS  Google Scholar 

  • M Swart AW Ehlers K Lammertsma (2004) Molec Phys 102 2467 Occurrence Handle10.1080/0026897042000275017 Occurrence Handle1:CAS:528:DC%2BD2cXhtFGmu7rK

    Article  CAS  Google Scholar 

  • AD Becke (1988) Phys Rev A 38 3098 Occurrence Handle10.1103/PhysRevA.38.3098 Occurrence Handle1:CAS:528:DyaL1cXmtlOhsLo%3D

    Article  CAS  Google Scholar 

  • C Lee W Yang RG Parr (1988) Phys Rev B 37 785 Occurrence Handle10.1103/PhysRevB.37.785 Occurrence Handle1:CAS:528:DyaL1cXktFWrtbw%3D

    Article  CAS  Google Scholar 

  • Meier R, Molinier M, Anson C, Powell AK, Kallies B, van Eldik R (2006) Dalton Trans 5506

  • FT Helm WH Watson DJ Radanović BE Douglas (1977) Inorg Chem 16 2351 Occurrence Handle10.1021/ic50175a040 Occurrence Handle1:CAS:528:DyaE2sXltV2ku7o%3D

    Article  CAS  Google Scholar 

  • G te Velde FM Bickelhaupt SJA van Gisbergen C Fonseca Guerra EJ Baerends JG Snijders T Ziegler (2001) J Comput Chem 22 931 Occurrence Handle10.1002/jcc.1056 Occurrence Handle1:CAS:528:DC%2BD3MXjtlGntrw%3D

    Article  CAS  Google Scholar 

  • C Fonseca Guerra JG Snijders G te Velde EJ Baerends (1998) Theor Chem Acc 99 391 Occurrence Handle10.1007/s002140050021

    Article  Google Scholar 

  • ADF2006.01, SCM, Theoretical Chemistry, Vrije Universiteit, Amsterdam, The Netherlands, http://www.scm.com

  • HyperChem(TM), Hypercube, Inc., 1115 NW 4th Street, Gainesville, Florida 32601, USA

  • F Pavelčik V Kettmann (1983) Collect Czech Chem Commun 48 1376

    Google Scholar 

  • F Pavelčik V Kettmann J Majer (1979) Collect Czech Chem Commun 44 1070

    Google Scholar 

  • J Soldanova F Pavelčik J Majer (1981) Acta Cryst B37 921 Occurrence Handle1:CAS:528:DyaL3MXitVWisbk%3D

    CAS  Google Scholar 

  • K Nakamoto Y Morimoto AE Martell (1961) J Am Chem Soc 83 4528 Occurrence Handle10.1021/ja01483a009 Occurrence Handle1:CAS:528:DyaF38XivFehtg%3D%3D

    Article  CAS  Google Scholar 

  • MB Ćelap SR Niketić TJ Janjić VN Nikolić (1967) Inorg Chem 6 2063 Occurrence Handle10.1021/ic50057a029

    Article  Google Scholar 

  • DJ Radanović S Ianelli G Pelosi ZD Matović S Tasić-Stojanović (1998) Inorg Chim Acta 278 66 Occurrence Handle10.1016/S0020-1693(98)00009-7

    Article  Google Scholar 

  • ZD Matović VD Miletić G Samardžić G Pelosi S Ianelli S Trifunović (2005) Inorg Chim Acta 358 3135 Occurrence Handle10.1016/j.ica.2005.04.025

    Article  Google Scholar 

  • Kavanagh F (1972) In: Kavanagh F (ed) Analytical microbiology, Academic Press, p 44

Download references

Author information

Authors and Affiliations

  1. Department of Chemistry, Faculty of Science, University of Kragujevac, Kragujevac, Serbia

    Zoran D. Matović, Vesna D. Miletić, Miorad M. Vasojević, Svetlana Ćurčić & Svetlana K. Belošević

  2. Faculty of Agronomy, University of Kragujevac, Čačak, Serbia

    Milica Cvijović

Authors
  1. Zoran D. Matović
    View author publications

    You can also search for this author in PubMed Google Scholar

  2. Vesna D. Miletić
    View author publications

    You can also search for this author in PubMed Google Scholar

  3. Miorad M. Vasojević
    View author publications

    You can also search for this author in PubMed Google Scholar

  4. Milica Cvijović
    View author publications

    You can also search for this author in PubMed Google Scholar

  5. Svetlana Ćurčić
    View author publications

    You can also search for this author in PubMed Google Scholar

  6. Svetlana K. Belošević
    View author publications

    You can also search for this author in PubMed Google Scholar

Corresponding author

Correspondence to Zoran D. Matović.

Rights and permissions

Reprints and permissions

About this article

Cite this article

Matović, Z., Miletić, V., Vasojević, M. et al. Synthesis and DFT Defined trans(O5O6) Molecular Structure of Cs[Fe(1,3-pddadp)] · 2H2O. Strain Analysis and Spectral Assignment of the Complex. Monatsh. Chem. 138, 823–832 (2007). https://doi.org/10.1007/s00706-007-0669-3

Download citation

  • Received:

  • Accepted:

  • Published:

  • Issue Date:

  • DOI: https://doi.org/10.1007/s00706-007-0669-3

Search

Navigation