{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"submitter":["Lu N"],"funding":["National Science and Technology Council"],"pagination":["45270-45282"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC12703683"],"repository":["biostudies-literature"],"omics_type":["Unknown"],"volume":["147(49)"],"pubmed_abstract":["Three fluorinated Zn complexes were synthesized and characterized. Their single crystals were grown and studied via X-ray and neutron diffraction methods. These fluorinated metal complexes tend to form two special noncovalent interactions: an intramolecular tetrel bond (TB) and an intramolecular blueshifting hydrogen bond (HB). In 4FH-ZnCl<sub>2</sub> [2,6-(HCF<sub>2</sub>CF<sub>2</sub>CH<sub>2</sub>OCH<sub>2</sub>)<sub>2</sub>-py-ZnCl<sub>2</sub>], an intramolecular TB induces significant elongation of a C-H bond in a methylene group, H1A-C1-H1B, to 1.108(2) Å, whereas the intramolecular C1-H1A···F2 blueshifting HB shortens the C1-H1A bond to 1.092(1) Å. Thus, C1-H1B is longer than C1-H1A by 16(2) mÅ such that either one of the C1-H1 stretches becomes a methine-like stretch with a peak ap"],"journal":["Journal of the American Chemical Society"],"pubmed_title":["Neutron Diffraction and Spectroscopic Studies of Intramolecular Tetrel Bonds in Three Fluorinated Zinc Complexes: Significant Redshift in the sp&lt;sup&gt;3&lt;/sup&gt; C-H Stretch Confirmed by Experiments and Theory."],"pmcid":["PMC12703683"],"funding_grant_id":["111-2113-M-027-010","112-2113-M-027-005"],"pubmed_authors":["Zeng PX","Gowda Y","Francisco JS","Huang YC","Chan KL","Gurumallappa G","Lu N","Lin YC","Hsieh YT","Tessema E","Tsai MH","Liu PY","Chang HC"],"additional_accession":[]},"is_claimable":false,"name":"Neutron Diffraction and Spectroscopic Studies of Intramolecular Tetrel Bonds in Three Fluorinated Zinc Complexes: Significant Redshift in the sp&lt;sup&gt;3&lt;/sup&gt; C-H Stretch Confirmed by Experiments and Theory.","description":"Three fluorinated Zn complexes were synthesized and characterized. Their single crystals were grown and studied via X-ray and neutron diffraction methods. These fluorinated metal complexes tend to form two special noncovalent interactions: an intramolecular tetrel bond (TB) and an intramolecular blueshifting hydrogen bond (HB). In 4FH-ZnCl<sub>2</sub> [2,6-(HCF<sub>2</sub>CF<sub>2</sub>CH<sub>2</sub>OCH<sub>2</sub>)<sub>2</sub>-py-ZnCl<sub>2</sub>], an intramolecular TB induces significant elongation of a C-H bond in a methylene group, H1A-C1-H1B, to 1.108(2) Å, whereas the intramolecular C1-H1A···F2 blueshifting HB shortens the C1-H1A bond to 1.092(1) Å. Thus, C1-H1B is longer than C1-H1A by 16(2) mÅ such that either one of the C1-H1 stretches becomes a methine-like stretch with a peak ap","dates":{"release":"2025-01-01T00:00:00Z","publication":"2025 Dec","modification":"2026-06-12T10:14:39.66Z","creation":"2026-06-12T03:12:14.055Z"},"accession":"S-EPMC12703683","cross_references":{"pubmed":["41292364"],"doi":["10.1021/jacs.5c15040"]}}