Study of C−H⋅⋅⋅π interactions with pyrrole and chelate rings in metal-porphyrin complexes
Конференцијски прилог (Објављена верзија)
,
Society of Physical Chemists of Serbia
Метаподаци
Приказ свих података о документуАпстракт
The Cambridge Structural Database (CSD) was screened in order to find and investigate specific C−H⋅⋅⋅π interactions between C−H groups and two types of rings with delocalized π-bonds that exist in porphyrin: pyrrole and six-membered chelate. Statistical analysis of geometrical parameters for interactions in both types of rings was done. In order to determine preferred positions in porphyrinato ring for C−H⋅⋅⋅π interactions fifteen different points distributed over porphyrin ring have been chosen and each of them have been analyzed. Calculations of these interactions by density functional theory (DFT) have been done on three different model systems.
Извор:
Physical chemistry 2006: 8th international conference on fundemental and applied aspract of physical chemistry, 2006, 701-703Издавач:
- Society of Physical Chemists of Serbia
Напомена:
- Physical chemistry 2006 : 8th international conference on fundamental and applied aspects of physical chemistry; Belgrade (Serbia); 26-29 September 2006
Колекције
Институција/група
VinčaTY - CONF AU - Medaković, Vesna B. AU - Milčić, Miloš K. AU - Bogdanović, Goran A. PY - 2006 UR - https://vinar.vin.bg.ac.rs/handle/123456789/9473 AB - The Cambridge Structural Database (CSD) was screened in order to find and investigate specific C−H⋅⋅⋅π interactions between C−H groups and two types of rings with delocalized π-bonds that exist in porphyrin: pyrrole and six-membered chelate. Statistical analysis of geometrical parameters for interactions in both types of rings was done. In order to determine preferred positions in porphyrinato ring for C−H⋅⋅⋅π interactions fifteen different points distributed over porphyrin ring have been chosen and each of them have been analyzed. Calculations of these interactions by density functional theory (DFT) have been done on three different model systems. PB - Society of Physical Chemists of Serbia C3 - Physical chemistry 2006: 8th international conference on fundemental and applied aspract of physical chemistry T1 - Study of C−H⋅⋅⋅π interactions with pyrrole and chelate rings in metal-porphyrin complexes SP - 701 EP - 703 UR - https://hdl.handle.net/21.15107/rcub_vinar_9473 ER -
@conference{ author = "Medaković, Vesna B. and Milčić, Miloš K. and Bogdanović, Goran A.", year = "2006", abstract = "The Cambridge Structural Database (CSD) was screened in order to find and investigate specific C−H⋅⋅⋅π interactions between C−H groups and two types of rings with delocalized π-bonds that exist in porphyrin: pyrrole and six-membered chelate. Statistical analysis of geometrical parameters for interactions in both types of rings was done. In order to determine preferred positions in porphyrinato ring for C−H⋅⋅⋅π interactions fifteen different points distributed over porphyrin ring have been chosen and each of them have been analyzed. Calculations of these interactions by density functional theory (DFT) have been done on three different model systems.", publisher = "Society of Physical Chemists of Serbia", journal = "Physical chemistry 2006: 8th international conference on fundemental and applied aspract of physical chemistry", title = "Study of C−H⋅⋅⋅π interactions with pyrrole and chelate rings in metal-porphyrin complexes", pages = "701-703", url = "https://hdl.handle.net/21.15107/rcub_vinar_9473" }
Medaković, V. B., Milčić, M. K.,& Bogdanović, G. A.. (2006). Study of C−H⋅⋅⋅π interactions with pyrrole and chelate rings in metal-porphyrin complexes. in Physical chemistry 2006: 8th international conference on fundemental and applied aspract of physical chemistry Society of Physical Chemists of Serbia., 701-703. https://hdl.handle.net/21.15107/rcub_vinar_9473
Medaković VB, Milčić MK, Bogdanović GA. Study of C−H⋅⋅⋅π interactions with pyrrole and chelate rings in metal-porphyrin complexes. in Physical chemistry 2006: 8th international conference on fundemental and applied aspract of physical chemistry. 2006;:701-703. https://hdl.handle.net/21.15107/rcub_vinar_9473 .
Medaković, Vesna B., Milčić, Miloš K., Bogdanović, Goran A., "Study of C−H⋅⋅⋅π interactions with pyrrole and chelate rings in metal-porphyrin complexes" in Physical chemistry 2006: 8th international conference on fundemental and applied aspract of physical chemistry (2006):701-703, https://hdl.handle.net/21.15107/rcub_vinar_9473 .