Local reactivity descriptors to predict the strength of Lewis acid sites in alkali cation-exchanged zeolites
| dc.contributor.author | Roy, Ram Kinkar | |
| dc.date.accessioned | 2021-10-12T11:36:26Z | |
| dc.date.available | 2021-10-12T11:36:26Z | |
| dc.date.issued | 2004-05 | |
| dc.description.abstract | Lewis acidity of alkali cation-exchanged zeolite is studied using local reactivity descriptors based on hard-soft acid–base (HSAB) concept. The local softness for nucleophilic attack (sx+), local softness for electrophilic attack (sx−) and their ratio, which is called `relative electrophilicity' (sx+/sx−), are calculated for the exchanged cations and Lewis acidity of the cations is found to decrease in the order: Li+ > Na+ > K+ > Rb+ > Cs+. Calculated blue shift of CO vibrational frequency (Δν) and interaction energy of CO molecule with alkali cation-exchanged zeolite clusters vary linearly with sx+/sx− values. | en_US |
| dc.identifier.uri | https://www.sciencedirect.com/science/article/pii/S0009261404004452?via%3Dihub | |
| dc.identifier.uri | http://dspace.bits-pilani.ac.in:8080/xmlui/handle/123456789/2746 | |
| dc.language.iso | en | en_US |
| dc.publisher | Elsiever | en_US |
| dc.subject | Chemistry | en_US |
| dc.subject | Alkali cation-exchanged | en_US |
| dc.subject | Zeolites | en_US |
| dc.title | Local reactivity descriptors to predict the strength of Lewis acid sites in alkali cation-exchanged zeolites | en_US |
| dc.type | Article | en_US |
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