| 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.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.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.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 |