Potential for fixation of N2 at room temperature utilizing a copper-ion-exchanged MFI-type zeolite as an adsorbent: Evaluation of the bond dissociation energy of adsorbed N≡N and the bond strength of the Cu +-N(≡N) species

Atsushi Itadani, Masashi Tanaka, Toshinori Mori, Hiroe Torigoe, Hisayoshi Kobayashi, Yasushige Kuroda

Research output: Contribution to journalArticle

9 Citations (Scopus)

Abstract

A peculiar N2 adsorption was found on a copper-ion-exchanged MFI-type zeolite (CuMFI); the N2 adsorption was established within 20 s at 300 K. Related to this fact, the bond dissociation energy of N≡N in a stable Cu+-N≡N species in CuMFI was, for the first time, evaluated to be 9.11 eV from the characteristic bands at 2295, 2654, and 4553 cm-1, which correspond to the fundamental, combination, and overtone vibrations of N≡N adsorbed on Cu+ of CuMFI, respectively. The vibrational frequency of Cu+-N in the Cu+-N≡N formed in CuMFI was also determined to be ∼ 360 cm-1, together with the energy for the formation of a Cu+-N bond; the Cu+- N≡N species is stable enough to maintain a N2 molecule on MFI at 300 K. DFT calculations reasonably explain the experimental data and also the N2 adsorption model based on the three-coordinate Cu+ site in CuMFI.

Original languageEnglish
Pages (from-to)2385-2390
Number of pages6
JournalJournal of Physical Chemistry Letters
Volume1
Issue number15
DOIs
Publication statusPublished - Aug 5 2010

ASJC Scopus subject areas

  • Materials Science(all)
  • Physical and Theoretical Chemistry

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