Weak Te,Te Interactions Through the Looking Glass of NMR Spin-spin Coupling

Overview

Journal Angew Chem Int Ed Engl

Specialty Chemistry

Date 2013 Jan 25

PMID 23345140

Citations 4

Authors

Michael Buhl

Fergus R Knight

Anezka Kristkova

Irina Malkin Ondik

Olga L Malkina

Rebecca A M Randall

Alexandra M Z Slawin

J Derek Woollins

Affiliations

Soon will be listed here.

Abstract

Across the bay: J((125)Te, (125)Te) spin-spin coupling is a highly sensitive probe into the electronic and geometric structure of 1,8-peri-substituted naphthalene tellurium derivatives. The coupling is related to the onset of multicenter bonding in these systems.

Citing Articles

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References

Nakanishi W, Hayashi S . Torsional angular dependence of 1J(Se,Se) and Fermi contact control of 4J(Se,Se): analysis of nJ(Se,Se) (n=1-4) based on molecular orbital theory. Chemistry. 2008; 14(18):5645-55. DOI: 10.1002/chem.200701532. View

Kilian P, Knight F, Woollins J . Naphthalene and related systems peri-substituted by Group 15 and 16 elements. Chemistry. 2011; 17(8):2302-28. DOI: 10.1002/chem.201001750. View

Moncho S, Autschbach J . Relativistic Zeroth-Order Regular Approximation Combined with Nonhybrid and Hybrid Density Functional Theory: Performance for NMR Indirect Nuclear Spin-Spin Coupling in Heavy Metal Compounds. J Chem Theory Comput. 2015; 6(1):223-34. DOI: 10.1021/ct900535d. View

Alvarez S, Hoffmann R, Mealli C . A bonding quandary--or--a demonstration of the fact that scientists are not born with logic. Chemistry. 2009; 15(34):8358-8373. DOI: 10.1002/chem.200900239. View

Ball P . Beyond the bond. Nature. 2011; 469(7328):26-8. DOI: 10.1038/469026a. View

Malkina O, Kristkova A, Malkin E, Komorovsky S, Malkin V . Illumination of the effect of the overlap of lone-pairs on indirect nuclear spin-spin coupling constants. Phys Chem Chem Phys. 2011; 13(35):16015-21. DOI: 10.1039/c1cp21422e. View

Reiter S, Nogai S, Karaghiosoff K, Schmidbaur H . Insignificance of P-H...P hydrogen bonding: structural chemistry of neutral and protonated 1,8-di(phosphinyl)naphthalene. J Am Chem Soc. 2004; 126(48):15833-43. DOI: 10.1021/ja045460x. View

Autschbach J . Two-component relativistic hybrid density functional computations of nuclear spin-spin coupling tensors using Slater-type basis sets and density-fitting techniques. J Chem Phys. 2008; 129(9):094105. DOI: 10.1063/1.2969100. View

Knight F, Randall R, Athukorala Arachchige K, Wakefield L, Griffin J, Ashbrook S . Noncovalent interactions in peri-substituted chalconium acenaphthene and naphthalene salts: a combined experimental, crystallographic, computational, and solid-state NMR study. Inorg Chem. 2012; 51(20):11087-97. DOI: 10.1021/ic301627y. View

10.

Aschenbach L, Knight F, Randall R, Cordes D, Baggott A, Buhl M . Onset of three-centre, four-electron bonding in peri-substituted acenaphthenes: a structural and computational investigation. Dalton Trans. 2011; 41(11):3141-53. DOI: 10.1039/c1dt11697e. View

11.

Chen F, Ma G, Bernard G, Cavell R, McDonald R, Ferguson M . Solid-state 115In and 31P NMR studies of triarylphosphine indium trihalide adducts. J Am Chem Soc. 2010; 132(15):5479-93. DOI: 10.1021/ja100625p. View

12.

Peralta J, Barone V, Contreras R, Zaccari D, Snyder J . Through-bond and through-space J(FF) spin-spin coupling in peridifluoronaphthalenes: accurate DFT evaluation of the four contributions. J Am Chem Soc. 2001; 123(37):9162-3. DOI: 10.1021/ja011164y. View

13.

Bagno A, Casella G, Saielli G . Relativistic DFT Calculation of (119)Sn Chemical Shifts and Coupling Constants in Tin Compounds. J Chem Theory Comput. 2015; 2(1):37-46. DOI: 10.1021/ct050173k. View

14.

Rzepa H . The importance of being bonded. Nat Chem. 2011; 1(7):510-2. DOI: 10.1038/nchem.373. View

15.

Wilkens S, Westler W, Markley J, Weinhold F . Natural J-coupling analysis: interpretation of scalar J-couplings in terms of natural bond orbitals. J Am Chem Soc. 2001; 123(48):12026-36. DOI: 10.1021/ja016284k. View

16.

Autschbach J . Analyzing NMR shielding tensors calculated with two-component relativistic methods using spin-free localized molecular orbitals. J Chem Phys. 2008; 128(16):164112. DOI: 10.1063/1.2905235. View