A study of the template conformation in CoAPO-21
Само за регистроване кориснике
1996
Чланак у часопису (Објављена верзија)
Метаподаци
Приказ свих података о документуАпстракт
A model system structurally based on CoAPO-21 has been studied by the PM3 MO method in order to examine the conformation of the encapsulated template species. It is confirmed that the observed conformation of the template ethylenediammonium ion in the framework cavities corresponds to the energy minimum for the system. The spatial position of the hydrogen atoms of the template has also been estimated. The geometry of the ion should be primarily attributed to steric factors. Intra-molecular hydrogen bonding between template and the aluminophosphate lattice occurs through the N-H...O bonds that vary in strength due to steric reasons.
Извор:
ACH Models in Chemistry, 1996, 133, 4, 333-339Издавач:
- Akadémiai Kiadó
Институција/група
Tehnološko-metalurški fakultetTY - JOUR AU - Stojaković, Djordje AU - Rajić, Nevenka PY - 1996 UR - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/5213 AB - A model system structurally based on CoAPO-21 has been studied by the PM3 MO method in order to examine the conformation of the encapsulated template species. It is confirmed that the observed conformation of the template ethylenediammonium ion in the framework cavities corresponds to the energy minimum for the system. The spatial position of the hydrogen atoms of the template has also been estimated. The geometry of the ion should be primarily attributed to steric factors. Intra-molecular hydrogen bonding between template and the aluminophosphate lattice occurs through the N-H...O bonds that vary in strength due to steric reasons. PB - Akadémiai Kiadó T2 - ACH Models in Chemistry T1 - A study of the template conformation in CoAPO-21 EP - 339 IS - 4 SP - 333 VL - 133 UR - https://hdl.handle.net/21.15107/rcub_technorep_5213 ER -
@article{ author = "Stojaković, Djordje and Rajić, Nevenka", year = "1996", abstract = "A model system structurally based on CoAPO-21 has been studied by the PM3 MO method in order to examine the conformation of the encapsulated template species. It is confirmed that the observed conformation of the template ethylenediammonium ion in the framework cavities corresponds to the energy minimum for the system. The spatial position of the hydrogen atoms of the template has also been estimated. The geometry of the ion should be primarily attributed to steric factors. Intra-molecular hydrogen bonding between template and the aluminophosphate lattice occurs through the N-H...O bonds that vary in strength due to steric reasons.", publisher = "Akadémiai Kiadó", journal = "ACH Models in Chemistry", title = "A study of the template conformation in CoAPO-21", pages = "339-333", number = "4", volume = "133", url = "https://hdl.handle.net/21.15107/rcub_technorep_5213" }
Stojaković, D.,& Rajić, N.. (1996). A study of the template conformation in CoAPO-21. in ACH Models in Chemistry Akadémiai Kiadó., 133(4), 333-339. https://hdl.handle.net/21.15107/rcub_technorep_5213
Stojaković D, Rajić N. A study of the template conformation in CoAPO-21. in ACH Models in Chemistry. 1996;133(4):333-339. https://hdl.handle.net/21.15107/rcub_technorep_5213 .
Stojaković, Djordje, Rajić, Nevenka, "A study of the template conformation in CoAPO-21" in ACH Models in Chemistry, 133, no. 4 (1996):333-339, https://hdl.handle.net/21.15107/rcub_technorep_5213 .