Characterization and density functional theory optimization of a simultaneous binder (FSG-XO) of two different species exploiting HOMO–LUMO levels …

Published 2015

DOI: 10.1021/je501013b

Abstract:

A cost-time effective mesoporous ion-exchange material (FSG-XO) has been synthesized by immobilizing xylenol orange on functionalized silica gel. Its spatially separated highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) have been used for the simultaneous sorption of two different metal centers at their respective high and low oxidation states. The characterization of its corresponding nanomaterial,{Si [OSi] p= 2–4 [OH] m= 2–0 x H 2 O} n [− Si (CH3) 2–NH–C6H4–N N–XO] 4 has been...

Excerpt:

Raman spectra for the exchanger and its Zn(II) loaded form were studied with Raman System RSL plus.R (model no. 3000 series) (Agiltron 15 [Presidential Way], Woburn, MA 01801, USA) by irradiating the solid mass with a 785 (S) nm laser source at the range of power input 90 mW to 290 mW to achieve the precise resolution...