Investigation of interactions in Lewis pairs between phosphines and boranes by analyzing crystal structures from the Cambridge Structural Database
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2018
Authors
Milovanović, Milan R.Andrić, Jelena M.
Medaković, Vesna
Đukić, Jean-Pierre
Zarić, Snežana D.
Article (Published version)
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The interactions between phosphines and boranes in crystal structures have been investigated by analyzing data from the Cambridge Structural Database (CSD). The interactions between phosphines and boranes were classified into three types; two types depend on groups on the boron atom, whereas the third one involves frustrated Lewis pairs (FLPs). The data enabled geometric parameters in structures to be compared with phosphine-borane FLPs with classical Lewis pairs. Most of the crystal structures (78.1%) contain BH3 as the borane group. In these systems, the boron-phosphorus distance is shorter than systems where the boron atom is surrounded by groups other than hydrogen atoms. The analysis of the CSD data has shown that FLPs have a tendency for the longest boron-phosphorus distance among all phosphine-borane pairs, as well as different other geometrical parameters. The results show that most of the frustrated phosphine-borane pairs found in crystal structures are bridged ones. The minor...ity of non-bridged FLP structures contain, beside phosphorus and boron atoms, other heteroatoms (O, N, S for instance).
Keywords:
phosphines / boranes / frustrated Lewis pairs / Cambridge Structural Database / intermolecular interactions / intramolecular interactionsSource:
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS, 2018, 74, 255-263Publisher:
- Int Union Crystallography, Chester
Funding / projects:
- Noncovalent interactions of pi-systems and their role in molecular recognition (RS-MESTD-Basic Research (BR or ON)-172065)
- Fund for Young Talents of the Republic of Serbia - Dositeja
- Agence Nationale de la Recherche ANR project COCOORDCHEM
- French Government (via Campus France)
Note:
- Supplementary material: http://cherry.chem.bg.ac.rs/handle/123456789/3232
DOI: 10.1107/S2052520618003736
ISSN: 2052-5206
PubMed: 29927388
WoS: 000434798000001
Scopus: 2-s2.0-85048513661
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Institution/Community
Hemijski fakultet / Faculty of ChemistryTY - JOUR AU - Milovanović, Milan R. AU - Andrić, Jelena M. AU - Medaković, Vesna AU - Đukić, Jean-Pierre AU - Zarić, Snežana D. PY - 2018 UR - https://cherry.chem.bg.ac.rs/handle/123456789/2157 AB - The interactions between phosphines and boranes in crystal structures have been investigated by analyzing data from the Cambridge Structural Database (CSD). The interactions between phosphines and boranes were classified into three types; two types depend on groups on the boron atom, whereas the third one involves frustrated Lewis pairs (FLPs). The data enabled geometric parameters in structures to be compared with phosphine-borane FLPs with classical Lewis pairs. Most of the crystal structures (78.1%) contain BH3 as the borane group. In these systems, the boron-phosphorus distance is shorter than systems where the boron atom is surrounded by groups other than hydrogen atoms. The analysis of the CSD data has shown that FLPs have a tendency for the longest boron-phosphorus distance among all phosphine-borane pairs, as well as different other geometrical parameters. The results show that most of the frustrated phosphine-borane pairs found in crystal structures are bridged ones. The minority of non-bridged FLP structures contain, beside phosphorus and boron atoms, other heteroatoms (O, N, S for instance). PB - Int Union Crystallography, Chester T2 - ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS T1 - Investigation of interactions in Lewis pairs between phosphines and boranes by analyzing crystal structures from the Cambridge Structural Database VL - 74 SP - 255 EP - 263 DO - 10.1107/S2052520618003736 ER -
@article{ author = "Milovanović, Milan R. and Andrić, Jelena M. and Medaković, Vesna and Đukić, Jean-Pierre and Zarić, Snežana D.", year = "2018", abstract = "The interactions between phosphines and boranes in crystal structures have been investigated by analyzing data from the Cambridge Structural Database (CSD). The interactions between phosphines and boranes were classified into three types; two types depend on groups on the boron atom, whereas the third one involves frustrated Lewis pairs (FLPs). The data enabled geometric parameters in structures to be compared with phosphine-borane FLPs with classical Lewis pairs. Most of the crystal structures (78.1%) contain BH3 as the borane group. In these systems, the boron-phosphorus distance is shorter than systems where the boron atom is surrounded by groups other than hydrogen atoms. The analysis of the CSD data has shown that FLPs have a tendency for the longest boron-phosphorus distance among all phosphine-borane pairs, as well as different other geometrical parameters. The results show that most of the frustrated phosphine-borane pairs found in crystal structures are bridged ones. The minority of non-bridged FLP structures contain, beside phosphorus and boron atoms, other heteroatoms (O, N, S for instance).", publisher = "Int Union Crystallography, Chester", journal = "ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS", title = "Investigation of interactions in Lewis pairs between phosphines and boranes by analyzing crystal structures from the Cambridge Structural Database", volume = "74", pages = "255-263", doi = "10.1107/S2052520618003736" }
Milovanović, M. R., Andrić, J. M., Medaković, V., Đukić, J.,& Zarić, S. D.. (2018). Investigation of interactions in Lewis pairs between phosphines and boranes by analyzing crystal structures from the Cambridge Structural Database. in ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS Int Union Crystallography, Chester., 74, 255-263. https://doi.org/10.1107/S2052520618003736
Milovanović MR, Andrić JM, Medaković V, Đukić J, Zarić SD. Investigation of interactions in Lewis pairs between phosphines and boranes by analyzing crystal structures from the Cambridge Structural Database. in ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS. 2018;74:255-263. doi:10.1107/S2052520618003736 .
Milovanović, Milan R., Andrić, Jelena M., Medaković, Vesna, Đukić, Jean-Pierre, Zarić, Snežana D., "Investigation of interactions in Lewis pairs between phosphines and boranes by analyzing crystal structures from the Cambridge Structural Database" in ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS, 74 (2018):255-263, https://doi.org/10.1107/S2052520618003736 . .