Do Aurophilic Interactions Compete against Hydrogen Bonds? Experimental Evidence and Rationalization based on Ab Initio Calculations.

  1. Codina, A. 1
  2. Fernandez, E.J. 1
  3. Jones, P.G. 3
  4. Laguna, A. 2
  5. López-de-Luzuriaga, J.M. 1
  6. Monge, M. 1
  7. Olmos, M.E. 1
  8. Pérez, J. 1
  9. Rodríguez, M.A. 1
  1. 1 Universidad de La Rioja

    Universidad de La Rioja

    Logroño, España


  2. 2 Instituto de Nanociencia y Materiales de Aragón

    Instituto de Nanociencia y Materiales de Aragón

    Zaragoza, España


  3. 3 Braunschweig University of Technology

    Braunschweig University of Technology

    Brunswick, Alemania


Journal of the American Chemical Society

ISSN: 0002-7863

Year of publication: 2002

Volume: 124

Issue: 23

Pages: 6781-6786

Type: Article

DOI: 10.1021/JA025765G PMID: 12047200 SCOPUS: 2-s2.0-0037067064 WoS: WOS:000176059100051 GOOGLE SCHOLAR

More publications in: Journal of the American Chemical Society

Institutional repository: lock_openOpen access editor


Cited by

  • Scopus Cited by: 84 (12-01-2023)
  • Web of Science Cited by: 80 (31-12-2022)

JCR (Journal Impact Factor)

  • Year 2002
  • Journal Impact Factor: 6.201
  • Journal Impact Factor without self cites: 5.263
  • Article influence score: 0.0
  • Best Quartile: Q1
  • Area: CHEMISTRY, MULTIDISCIPLINARY Quartile: Q1 Rank in area: 5/119 (Ranking edition: SCIE)

SCImago Journal Rank

  • Year 2002
  • SJR Journal Impact: 3.587
  • Best Quartile: Q1
  • Area: Biochemistry Quartile: Q1 Rank in area: 8/289
  • Area: Catalysis Quartile: Q1 Rank in area: 5/35
  • Area: Colloid and Surface Chemistry Quartile: Q1 Rank in area: 1/15
  • Area: Chemistry (miscellaneous) Quartile: Q1 Rank in area: 10/371


[M(C6F5){N(H)=CPh2}] (M = Ag (1) and Au (2)) complexes have been synthesized and characterized by X-ray diffraction analysis. Complex 1 shows a ladder-type structure in which two [Ag-(C6F5){N(H)=CPh2}] units are linked by a Ag(I)-Ag(I) interaction in an antiparallel disposition. The dimeric units are associated through hydrogen bonds of the type N-H···Fortho. On the other hand, gold(I) complex 2 displays discrete dimers also in an antiparallel conformation in which both Au(I)-Au(I) interactions and N-H···Foho hydrogen bonds appear within the dimeric units. The features of these coexisting interactions have been theoretically studied by ab initio calculations based on four different model systems in order to analyze them separately. The interactions have been analyzed at HF and MP2 levels of theory showing that, in this case, even at larger distances. The Au(I)-Au(I) (I) interaction is stronger than Ag(I)-Ag(I) and that N-H···F hydrogen bonding and Au(I)-Au(I) contacts have a similar strength in the same molecule, which permits a competition between these two structural motifs giving rise to different structural arrangements.