Identification of Cu2(N2) and Cu2(N2)2 complexes

Matrix isolation and density functional studies

F. Elustondo, J. Mascetti, I. Pápai

Research output: Contribution to journalArticle

12 Citations (Scopus)

Abstract

Reactions of copper atoms with dinitrogen have been studied in argon and dinitrogen matrices at 10 K by UV-visible and FTIR spectroscopies. The co-condensation of copper vapor in neat dinitrogen matrices produces only the metal dimer 2:1 and 2:2 species, i.e., the Cu2(N2) and Cu2(N2)2 complexes. Density functional calculations carried out on these complexes indicate that N2 coordinates to Cu2 in end-on way. No reactivity occurs in argon dilute matrices when the dinitrogen-argon rate is lower than 50%. The reactivity of copper is greatly affected by the presence of CO in the matrix giving rise to mixed copper CO/N2 species. The cooperative effect of CO is examined by DFT calculations. From both our experimental and theoretical results it is evident that only copper dimers exhibit a marked reactivity toward the N2 molecule, whereas the naked Cu(0) atoms need the "help" of a reactive co-ligand like CO to promote the coordination of dinitrogen.

Original languageEnglish
Pages (from-to)3572-3578
Number of pages7
JournalJournal of Physical Chemistry A
Volume104
Issue number16
Publication statusPublished - Apr 27 2000

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Copper
Carbon Monoxide
isolation
Argon
copper
matrices
reactivity
argon
Dimers
dimers
Atoms
Discrete Fourier transforms
Density functional theory
atoms
Condensation
condensation
Metals
Vapors
Spectroscopy
vapors

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry

Cite this

Identification of Cu2(N2) and Cu2(N2)2 complexes : Matrix isolation and density functional studies. / Elustondo, F.; Mascetti, J.; Pápai, I.

In: Journal of Physical Chemistry A, Vol. 104, No. 16, 27.04.2000, p. 3572-3578.

Research output: Contribution to journalArticle

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