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Unusual room temperature CO(2) uptake in a fluoro-functionalized MOF: insight from Raman spectroscopy and theoretical studies
Authors:Prakash Kanoo  Sandeep Kumar Reddy  Gayatri Kumari  Ritesh Haldar  Chandrabhas Narayana  Sundaram Balasubramanian  Tapas Kumar Maji
Institution:Chemistry and Physics of Materials Unit, Jawaharlal Nehru Centre for Advanced Scientific Research, Jakkur, Bangalore 560 064, India. cbhas@jncasr.ac.in bala@jncasr.ac.in tmaji@jncasr.ac.in.
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.
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