Stacking Interactions of Hydrogen-Bridged Rings. Analyses of Crystal Structures and Quantum Chemical Calculations
Конференцијски прилог (Објављена верзија)
Метаподаци
Приказ свих података о документуАпстракт
Stacking interactions were once considered as an exclusive feature of
aromatic molecules. Nowadays, some non-aromatic systems are known to
form this type of interactions. Study of crystal structures of resonanceassisted hydrogen-bridged rings reveals that rings are in parallel alignment,
with interplane distances mostly between 3.0 and 4.0 Å, which is typical for
stacking interactions. Interaction energies are calculated on dimers in the
gas phase by quantum chemical methods. Interactions can be much stronger
than stacking interactions in benzene dimer (-2.7 kcal/mol), since the
strongest calculated interactions reach 4.8 kcal/mol.
Извор:
14th International Conference on Fundamental and Applied Aspects of Physical Chemistry, 2018Финансирање / пројекти:
- Нековалентне интеракције pi-система и њихова улога у молекулском препознавању (RS-MESTD-Basic Research (BR or ON)-172065)
Институција/група
Inovacioni centar / Innovation CentreTY - CONF AU - Blagojević Filipović, Jelena P. AU - Hall, Michael B. AU - Zarić, Snežana D. PY - 2018 UR - http://cherry.chem.bg.ac.rs/handle/123456789/5273 AB - Stacking interactions were once considered as an exclusive feature of aromatic molecules. Nowadays, some non-aromatic systems are known to form this type of interactions. Study of crystal structures of resonanceassisted hydrogen-bridged rings reveals that rings are in parallel alignment, with interplane distances mostly between 3.0 and 4.0 Å, which is typical for stacking interactions. Interaction energies are calculated on dimers in the gas phase by quantum chemical methods. Interactions can be much stronger than stacking interactions in benzene dimer (-2.7 kcal/mol), since the strongest calculated interactions reach 4.8 kcal/mol. C3 - 14th International Conference on Fundamental and Applied Aspects of Physical Chemistry T1 - Stacking Interactions of Hydrogen-Bridged Rings. Analyses of Crystal Structures and Quantum Chemical Calculations UR - https://hdl.handle.net/21.15107/rcub_cherry_5273 ER -
@conference{ author = "Blagojević Filipović, Jelena P. and Hall, Michael B. and Zarić, Snežana D.", year = "2018", abstract = "Stacking interactions were once considered as an exclusive feature of aromatic molecules. Nowadays, some non-aromatic systems are known to form this type of interactions. Study of crystal structures of resonanceassisted hydrogen-bridged rings reveals that rings are in parallel alignment, with interplane distances mostly between 3.0 and 4.0 Å, which is typical for stacking interactions. Interaction energies are calculated on dimers in the gas phase by quantum chemical methods. Interactions can be much stronger than stacking interactions in benzene dimer (-2.7 kcal/mol), since the strongest calculated interactions reach 4.8 kcal/mol.", journal = "14th International Conference on Fundamental and Applied Aspects of Physical Chemistry", title = "Stacking Interactions of Hydrogen-Bridged Rings. Analyses of Crystal Structures and Quantum Chemical Calculations", url = "https://hdl.handle.net/21.15107/rcub_cherry_5273" }
Blagojević Filipović, J. P., Hall, M. B.,& Zarić, S. D.. (2018). Stacking Interactions of Hydrogen-Bridged Rings. Analyses of Crystal Structures and Quantum Chemical Calculations. in 14th International Conference on Fundamental and Applied Aspects of Physical Chemistry. https://hdl.handle.net/21.15107/rcub_cherry_5273
Blagojević Filipović JP, Hall MB, Zarić SD. Stacking Interactions of Hydrogen-Bridged Rings. Analyses of Crystal Structures and Quantum Chemical Calculations. in 14th International Conference on Fundamental and Applied Aspects of Physical Chemistry. 2018;. https://hdl.handle.net/21.15107/rcub_cherry_5273 .
Blagojević Filipović, Jelena P., Hall, Michael B., Zarić, Snežana D., "Stacking Interactions of Hydrogen-Bridged Rings. Analyses of Crystal Structures and Quantum Chemical Calculations" in 14th International Conference on Fundamental and Applied Aspects of Physical Chemistry (2018), https://hdl.handle.net/21.15107/rcub_cherry_5273 .