Unusual room temperature CO2 uptake in a fluoro-functionalized MOF: insight from Raman spectroscopy and theoretical studies

Prakash Kanoo; Sandeep Kumar Reddy; Gayatri Kumari; Ritesh Haldar; Chandrabhas Narayana; Sundaram Balasubramanian; Tapas Kumar Maji

doi:10.1039/c2cc34276f

Unusual room temperature CO2 uptake in a fluoro-functionalized MOF: insight from Raman spectroscopy and theoretical studies

Chem Commun (Camb). 2012 Sep 4;48(68):8487-9. doi: 10.1039/c2cc34276f. Epub 2012 Jul 17.

Authors

Prakash Kanoo¹, Sandeep Kumar Reddy, Gayatri Kumari, Ritesh Haldar, Chandrabhas Narayana, Sundaram Balasubramanian, Tapas Kumar Maji

Affiliation

¹ Chemistry and Physics of Materials Unit, Jawaharlal Nehru Centre for Advanced Scientific Research, Jakkur, Bangalore 560 064, India.

PMID: 22806410
DOI: 10.1039/c2cc34276f

Abstract

We herein report an unusual CO(2) adsorption behavior in a fluoro-functionalized MOF {[Zn(SiF(6))(pyz)(2)]·2MeOH}(n) (1) with a 1D channel system, which is made up of pyrazine and SiF(6)(2-) moieties. Surprisingly, desolvated 1 (1') adsorbs higher amounts of CO(2) at 298 K than at 195 K, which is in contrast to the usual trend. Combined Raman spectroscopic and theoretical studies reveal that slanted pyrazine rings in 1' with an angle of 17.2° with respect to the (200) Zn(II)-Si plane at low temperature block the channel windows and thus reduce the uptake amount.