{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,1,16]],"date-time":"2026-01-16T00:40:28Z","timestamp":1768524028475,"version":"3.49.0"},"reference-count":72,"publisher":"MDPI AG","issue":"5","license":[{"start":{"date-parts":[[2023,3,5]],"date-time":"2023-03-05T00:00:00Z","timestamp":1677974400000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"name":"MICIU\/AEI","award":["PID2020-115637GB-I00"],"award-info":[{"award-number":["PID2020-115637GB-I00"]}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Molecules"],"abstract":"<jats:p>In this manuscript substituent effects in several silicon tetrel bonding (TtB) complexes were investigated at the RI-MP2\/def2-TZVP level of theory. Particularly, we have analysed how the interaction energy is influenced by the electronic nature of the substituent in both donor and acceptor moieties. To achieve that, several tetrafluorophenyl silane derivatives have been substituted at the meta and para positions by several electron donating and electron withdrawing groups (EDG and EWG, respectively), such as \u2013NH2, \u2013OCH3, \u2013CH3, \u2013H, \u2013CF3 and \u2013CN substituents. As electron donor molecules, we have used a series of hydrogen cyanide derivatives using the same EDGs and EWGs. We have obtained the Hammett\u2019s plots for different combinations of donors and acceptors and in all cases we have obtained good regression plots (interaction energies vs. Hammet\u2019s \u03c3 parameter). In addition, we have used the electrostatic potential (ESP) surface analysis as well as the Bader\u2019s theory of atoms in molecules (AIM) and noncovalent interaction plot (NCI plot) techniques to further characterize the TtBs studied herein. Finally, a Cambridge Structural Database (CSD) inspection was carried out, retrieving several structures where halogenated aromatic silanes participate in tetrel bonding interactions, being an additional stabilization force of their supramolecular architectures.<\/jats:p>","DOI":"10.3390\/molecules28052385","type":"journal-article","created":{"date-parts":[[2023,3,6]],"date-time":"2023-03-06T02:06:43Z","timestamp":1678068403000},"page":"2385","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":1,"title":["Substituent Effects in Tetrel Bonds Involving Aromatic Silane Derivatives: An ab initio Study"],"prefix":"10.3390","volume":"28","author":[{"ORCID":"https:\/\/orcid.org\/0000-0001-8226-586X","authenticated-orcid":false,"given":"Sergi","family":"Burguera","sequence":"first","affiliation":[{"name":"Department of Chemistry, Universitat de les Illes Balears, Ctra. de Valldemossa km 7.5, 07122 Palma de Mallorca, Baleares, Spain"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-7840-2139","authenticated-orcid":false,"given":"Antonio","family":"Frontera","sequence":"additional","affiliation":[{"name":"Department of Chemistry, Universitat de les Illes Balears, Ctra. de Valldemossa km 7.5, 07122 Palma de Mallorca, Baleares, Spain"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-5793-781X","authenticated-orcid":false,"given":"Antonio","family":"Bauz\u00e1","sequence":"additional","affiliation":[{"name":"Department of Chemistry, Universitat de les Illes Balears, Ctra. de Valldemossa km 7.5, 07122 Palma de Mallorca, Baleares, Spain"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"1968","published-online":{"date-parts":[[2023,3,5]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","unstructured":"Lehn, J.M. 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