The intermolecular complexes of SSF₂ with HF, H₂O, NH₃, HCN and CH₃OH molecules

References

• Hobza P, Havlas Z. Blue-shifting hydrogen bonds. Chem Rev. 2000;100:4253–4264.
   PubMed Web of Science ®Google Scholar
• Esrafili MD, Behzadi H, Beheshtian J, et al. Theoretical 14N nuclear quadrupole resonance parameters for sulfa drugs: sulfamerazine and sulfathiazole. J Mol Graph Model. 2008;27:326–331.
   PubMed Web of Science ®Google Scholar
• Esrafili MD, Behzadi H, Hadipour NL. Influence of N–H … O and O–H … O hydrogen bonds on the 17O, 15N and 13C chemical shielding tensors in crystalline acetaminophen: a density functional theory study. Biophys Chem. 2007;128:38–45.
   PubMed Web of Science ®Google Scholar
• Gavezzotti A. Non-conventional bonding between organic molecules. The ‘halogen bond’ in crystalline systems. Mol Phys. 2008;106:1473–1485.
   Web of Science ®Google Scholar
• Fourmigué M, Opin C. Halogen bonding: recent advances. Solid State Mater Sci. 2009;13:36–45.
   Web of Science ®Google Scholar
• Lu Y, Shi T, Wang Y, et al. Halogen bonding – a novel interaction for rational drug design. J Med Chem. 2009;52:2854–2862.
   PubMed Web of Science ®Google Scholar
• Wang WZ, Ji BM, Zhang Y. Chalcogen bond: a sister non-covalent bond to halogen bond. J Phys Chem A. 2009;113:8132–8135.
   PubMed Web of Science ®Google Scholar
• Politzer P, Murray JS, Clark T. Halogen bonding and other σ-hole interactions: a perspective. Phys Chem Chem Phys. 2013;15:11178–11189.
   PubMed Web of Science ®Google Scholar
• Politzer P, Riley KE, Bulat FA, et al. Perspectives on halogen bonding and other σ-hole interactions: lex parsimoniae (Occam’s Razor). Comput Theor Chem. 2012;998:2–8.
   Web of Science ®Google Scholar
• Clark T, Hennemann M, Murray JS, et al. Halogen bonding: the σ-hole. J Mol Model. 2007;13:291–296.
   PubMed Web of Science ®Google Scholar
• Politzer P, Murray JS, Janjic GV, et al. σ-hole interactions of covalently-bonded Nitrogen, phosphorus and arsenic: a survey of crystal structures. Crystals. 2014;4:12–31.
   Web of Science ®Google Scholar
• Bauzá A, Mooibroek TJ, Frontera A. Tetrel-bonding interaction: rediscovered supramolecular force? Angew Chem Int Ed Engl. 2013;52:12317–12321.
   PubMed Web of Science ®Google Scholar
• Metrangolo P, Resnati G. Halogen bonding: a paradigm in supramolecular chemistry. Chem Eur J. 2001;7:2511–2519.
   PubMed Web of Science ®Google Scholar
• Politzer P, Murray JS, Concha MC. σ-hole bonding between like atoms; a fallacy of atomic charges. J Mol Model. 2008;14:659–665.
   PubMed Web of Science ®Google Scholar
• Bauzá A, Quĩnonero D, Deyà PM, et al. Halogen bonding versus chalcogen and pnicogen bonding: a combined Cambridge structural database and theoretical study. Cryst Eng Comm. 2013;15:3137–3144.
   Web of Science ®Google Scholar
• Del Bene JE, Alkotra I, Sanchez-Sanz G, et al. Phosphorus as a simultaneous electron-pair acceptor in intermolecular P···N pnicogen bonds and electron-pair donor to Lewis acids. J Phys Chem A. 2013;117:3133–3141.
   PubMed Web of Science ®Google Scholar
• Grabowski SJ. Tetrel bond–σ-hole bond as a preliminary stage of the SN2 reaction. Phys Chem Chem Phys. 2014;16:1824–1834.
   PubMed Web of Science ®Google Scholar
• Bergés J, Rickards G, Rauk A, et al. QM/MM study of electron addition on protein disulfide bonds. Chem Phys Lett. 2006;421:63–67.
   Web of Science ®Google Scholar
• Zysman-Colman E, Harp DN. Comparison of the structural properties of compounds containing the XSSX moiety(X = H, Me, R, Cl, Br, F, OR). J Sulfur Chem. 2004;25:291–316.
   Google Scholar
• Dolenko GN, Deryagina EN, Turchaninova LP, et al. Geminal conjugation in disulfides. J Heteroat Chem. 1995;6:623–629.
   Web of Science ®Google Scholar
• Cao XY, Qian XM, Qiao CH, et al. A kinetic study of the isomerization reaction from SSF2 to FSSF using the HeI photoelectron spectroscopic method. Chem Phys Lett. 1999;299:322–326.
   Web of Science ®Google Scholar
• Braida B, Hiberty PC. A simplified G2 scheme for determining electron affinities of covalent bonds. application to the disulfide bond RS-SR′ (R, R′: H, CH3, C2H5). J Phys Chem A. 2003;107:4741–4747.
   Web of Science ®Google Scholar
• Prascher BP, Wilson AK. A computational study of dihalogen- μ-dichalcogenides: XAAX (X = F, Cl, Br; A = S, Se). J Mol Struct (Theochem). 2007;814:1–10.
   Web of Science ®Google Scholar
• Ornellas FR. Chem isomers on the [S2, F2] potential energy surface: straightening out experimental and theoretical findings using a high-level theoretical approach. Chem Phys Lett. 2007;448:24–30.
   Web of Science ®Google Scholar
• Zeng Y, Li X, Zhang X, et al. AIM studies on SSHX → HSSX (X = F, Cl, Br, I) reaction. J Mol Struct (Theochem). 2008;851:115–120.
   Web of Science ®Google Scholar
• Dumont E, Loos PF, Assfeld X. Chem. Effect of ring strain on disulfide electron attachment. Chem Phys Lett. 2008;458:276–280.
   Web of Science ®Google Scholar
• Kurney GW, Turnbull K. Compounds containing the sulfur-sulfur double bond. Chem Rev. 1982;82:333–357.
   Web of Science ®Google Scholar
• March J. Advanced organic chemistry. New York (NY): Wiley-Interscience;1992.
   Google Scholar
• Grabowski JJ, Zhang L. Dimethyl disulfide: anion-molecule reactions in the gas phase at 300 K. J Am Chem Soc. 1989;111:1193–1203.
   Web of Science ®Google Scholar
• Dobado JA, Martínez-García H, Molina JM, et al. Chemical bonding in hypervalent molecules revised.2. Application of the atoms in molecules theory to Y2XZ and Y2XZ2 (Y = H, F, CH3; X = O, S, Se; Z = O, S) compounds. J Am Chem Soc. 1999;121:3156–3164.
   Web of Science ®Google Scholar
• Steudel R, Drozdova Y, Miaskiewicz K, et al. How unstable are thiosulfoxides? An ab initio MO study of various disulfanes RSSR (R = H, Me, Pr, All), their branched isomers R2SS, and the related transition states. J Am Chem Soc. 1997;119:1990–1996.
   Web of Science ®Google Scholar
• Chattaraj PK, Pérez P, Zevallos J, et al. Theoretical study of the trans-N2H2→cis-N2H2 and F2S2→FSSF reactions in gas and solution phases. J Mol Struct (Theochem). 2002;580:171–182.
   Web of Science ®Google Scholar
• Ball DW. Heats of formation and vibrational spectra of two isomers of S2F2. G2, G3, and CBS-QB3 calculations. J Mol Struct (Theochem). 2004;676:15–18.
   Web of Science ®Google Scholar
• Gerbaux P, Salpin JY, Bouchouxb G, et al. Thiosulfoxides (X2S = S) and disulfanes (XSSX): first observation of organic thiosulfoxides. Int J Mass Spectrom. 2000;195/196:239–249.
   Web of Science ®Google Scholar
• Matthias Bickelhaupt F, Sola M, Schleyer PVR. Theoretical investigation of the relative stabilities of XSSX and X2SS isomers (X = F, Cl, H, and CH3). J Comput Chem. 1995;16:465–477.
   Web of Science ®Google Scholar
• El-Hamdi M, Poater J, Matthias Bickelhaupt F, et al. X2Y2 isomers: tuning structure and relative stability through electronegativity differences (X = H, Li, Na, F, Cl, Br, I; Y = O, S, Se, Te). Inorg Chem. 2013;52:2458–2465.
   PubMed Web of Science ®Google Scholar
• Seel F, Budenz R. Infrared and mass spectroscopic investigations of isomeric sulfur difluoride. Evidence of a molecular compound of disulfur difluoride and Thiothionylfluorid. Chem Ber. 1965;98:251–258.
   Google Scholar
• Wellington Davis R, Firth S. The microwave spectrum of the pyramidal isomer of disulfur difluoride: FS-SF. J Mol Spectrosc. 1991;145:225–235.
   Web of Science ®Google Scholar
• Bader RFW. Atoms in molecules: a quantum theory. New York (NY): Oxford University Press; 1990.
   Google Scholar
• Bader RFW. A quantum theory of molecular structure and its applications. Chem Rev. 1991;91:893–928.
   Web of Science ®Google Scholar
• Zhang Y, Meng L, Li X, et al. Topological characteristics of electron density distribution in SSHX → HSSX (X = F, Cl, Br, I) isomerization reactions. J Phys Chem. 2007;111:9093–9101.
   Web of Science ®Google Scholar
• Reed AE, Curtiss LA, Weinhold F. Intermolecular interactions from a natural bond orbital, donor-acceptor viewpoint. Chem Rev. 1988;88:899–926.
   Web of Science ®Google Scholar
• Frisch MJ, Trucks GW, Schlegel HB, et al. GAUSSIAN 03. Pittsburgh: Gaussian Inc; 2003.
   Google Scholar
• Møller C, Plesset MS. Note on an approximation treatment for many-electron systems. Phys Rev. 1934;46:618–622.
   Web of Science ®Google Scholar
• Frisch MJ, Pople JA, Binkley JS. Self-consistent molecular orbital methods 25. Supplementary functions for Gaussian basis sets. J Chem Phys. 1984;80:3265–3269.
   Web of Science ®Google Scholar
• Boys SF, Bernardi F. The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors. Mol Phys. 1970;19:553–566.
   Web of Science ®Google Scholar
• Basanov SS. Van der Waals radii of elements. Inorg Mater. 2001;37:871–885.
   Web of Science ®Google Scholar
• Jorly J, Jemmis ED. Red-, Blue-, or no-shift in Hydrogen bonds: a unified explanation. J Am Chem Soc. 2007;129:4620–4632.
   PubMed Web of Science ®Google Scholar
• Oliveira BG, Ferreira FS, Araújo RCMU, et al. The hydrogen bond strength: new proposals to evaluate the intermolecular interaction using DFT calculations and the AIM theory. Chem Phys Lett. 2006;427:181–184.
   Web of Science ®Google Scholar
• Grabowski SJ, Ugalde JM. Bond paths show preferable interactions: ab initio and QTAIM studies on the X−H … π hydrogen bond. J Phys Chem A. 2010;114:7223–7229.
   PubMed Web of Science ®Google Scholar
• Małecka M. DFT studies and AIM analysis of intramolecular N–H···O hydrogen bonds in 3-aminomethylene-2 methoxy-5, 6-dimethyl-2-oxo-2, 3-dihydro-2λ5-[1, 2] oxaphosphinin-4-one and its derivatives. Struct Chem. 2010;21:175–184.
   Web of Science ®Google Scholar
• Alkorta I, Elguero J, Grabowski SJ. How to determine whether intramolecular H … H interactions can be classified as dihydrogen bonds. J Phys Chem A. 2008;112:2721–2727.
   PubMed Web of Science ®Google Scholar