caa a22 4500 605511608 CHVBK 20210128105158.0 cr unu---uuuuu 210128e20150701xx s 000 0 eng 10.1007/s00894-015-2722-1 doi (NATIONALLICENCE)springer-10.1007/s00894-015-2722-1 Effect of cooperativity in lithium bonding on the strength of halogen bonding and tetrel bonding: (LiCN)n···ClYF3 and (LiCN)n···YF3Cl (Y= C, Si and n  = 1-5) complexes as a working model [Elektronische Daten] [Mohammad Solimannejad, Masoumeh Orojloo, Saeid Amani] This paper reports results of cooperativity in lithium bonding on the strength of halogen bonding and tetrel bonding in complexes pairing CF3Cl and SiF3Cl with (LiCN)n complexes, where n varies from 1 to 5. Molecular geometries and stabilization energies of title complexes are calculated at the MP2 level with 6-311++G(d,p) basis set. Cooperative effects are found in terms of structural and energetic properties when lithium, halogen, and tetrel bonds are present in these complexes simultaneously. Our results reveal that strength of halogen and tetrel bondings are enhanced due to cooperativity of Li···N interactions in lithium bonded complexes. Good linear correlations between cooperativity parameters and electronic properties of complexes were established in the present study. Springer-Verlag Berlin Heidelberg, 2015 Cooperativity nationallicence Halogen bonding nationallicence Lithium bonding nationallicence Tetrel bonding nationallicence Solimannejad Mohammad Department of Chemistry, Faculty of Sciences, Arak University, 38156-8-8349, Arak, Iran aut Orojloo Masoumeh Department of Chemistry, Faculty of Sciences, Arak University, 38156-8-8349, Arak, Iran aut Amani Saeid Department of Chemistry, Faculty of Sciences, Arak University, 38156-8-8349, Arak, Iran aut Journal of Molecular Modeling Springer Berlin Heidelberg 21/7(2015-07-01), 1-7 1610-2940 21:7<1 2015 21 894 https://doi.org/10.1007/s00894-015-2722-1 text/html Onlinezugriff via DOI BK010053 XK010053 XK010000 Metadata rights reserved Springer special CC-BY-NC licence nationallicence 1 research-article jats NATIONALLICENCE NATIONALLICENCE NL-springer NATIONALLICENCE 856 40 https://doi.org/10.1007/s00894-015-2722-1 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Solimannejad Mohammad Department of Chemistry, Faculty of Sciences, Arak University, 38156-8-8349, Arak, Iran aut NATIONALLICENCE 700 1- Orojloo Masoumeh Department of Chemistry, Faculty of Sciences, Arak University, 38156-8-8349, Arak, Iran aut NATIONALLICENCE 700 1- Amani Saeid Department of Chemistry, Faculty of Sciences, Arak University, 38156-8-8349, Arak, Iran aut NATIONALLICENCE 773 0- Journal of Molecular Modeling Springer Berlin Heidelberg 21/7(2015-07-01), 1-7 1610-2940 21:7<1 2015 21 894 SWISSBIB 605224463