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
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| 024 | 7 | 0 | |a 10.1007/s00894-015-2722-1 |2 doi |
| 035 | |a (NATIONALLICENCE)springer-10.1007/s00894-015-2722-1 | ||
| 245 | 0 | 0 | |a 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 |h [Elektronische Daten] |c [Mohammad Solimannejad, Masoumeh Orojloo, Saeid Amani] |
| 520 | 3 | |a 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. | |
| 540 | |a Springer-Verlag Berlin Heidelberg, 2015 | ||
| 690 | 7 | |a Cooperativity |2 nationallicence | |
| 690 | 7 | |a Halogen bonding |2 nationallicence | |
| 690 | 7 | |a Lithium bonding |2 nationallicence | |
| 690 | 7 | |a Tetrel bonding |2 nationallicence | |
| 700 | 1 | |a Solimannejad |D Mohammad |u Department of Chemistry, Faculty of Sciences, Arak University, 38156-8-8349, Arak, Iran |4 aut | |
| 700 | 1 | |a Orojloo |D Masoumeh |u Department of Chemistry, Faculty of Sciences, Arak University, 38156-8-8349, Arak, Iran |4 aut | |
| 700 | 1 | |a Amani |D Saeid |u Department of Chemistry, Faculty of Sciences, Arak University, 38156-8-8349, Arak, Iran |4 aut | |
| 773 | 0 | |t Journal of Molecular Modeling |d Springer Berlin Heidelberg |g 21/7(2015-07-01), 1-7 |x 1610-2940 |q 21:7<1 |1 2015 |2 21 |o 894 | |
| 856 | 4 | 0 | |u https://doi.org/10.1007/s00894-015-2722-1 |q text/html |z Onlinezugriff via DOI |
| 898 | |a BK010053 |b XK010053 |c XK010000 | ||
| 900 | 7 | |a Metadata rights reserved |b Springer special CC-BY-NC licence |2 nationallicence | |
| 908 | |D 1 |a research-article |2 jats | ||
| 949 | |B NATIONALLICENCE |F NATIONALLICENCE |b NL-springer | ||
| 950 | |B NATIONALLICENCE |P 856 |E 40 |u https://doi.org/10.1007/s00894-015-2722-1 |q text/html |z Onlinezugriff via DOI | ||
| 950 | |B NATIONALLICENCE |P 700 |E 1- |a Solimannejad |D Mohammad |u Department of Chemistry, Faculty of Sciences, Arak University, 38156-8-8349, Arak, Iran |4 aut | ||
| 950 | |B NATIONALLICENCE |P 700 |E 1- |a Orojloo |D Masoumeh |u Department of Chemistry, Faculty of Sciences, Arak University, 38156-8-8349, Arak, Iran |4 aut | ||
| 950 | |B NATIONALLICENCE |P 700 |E 1- |a Amani |D Saeid |u Department of Chemistry, Faculty of Sciences, Arak University, 38156-8-8349, Arak, Iran |4 aut | ||
| 950 | |B NATIONALLICENCE |P 773 |E 0- |t Journal of Molecular Modeling |d Springer Berlin Heidelberg |g 21/7(2015-07-01), 1-7 |x 1610-2940 |q 21:7<1 |1 2015 |2 21 |o 894 | ||
| 986 | |a SWISSBIB |b 605224463 | ||