@article {502,
	title = {Experimental and calculated molecular structures and high symmetry conformations of [Sb2F11](-) (D-4h) and 1,4-C4H4N2 center dot 2SbF(5) (D-2h)},
	journal = {Solid State Sciences},
	volume = {4},
	number = {11-12},
	year = {2002},
	note = {ISI Document Delivery No.: 634TJTimes Cited: 8Cited Reference Count: 52},
	month = {Nov-Dec},
	pages = {1457-1463},
	type = {Article},
	abstract = {Antimony(V) fluoride, SbF5, forms a molecular adduct with pyrazine (1,4-diazine) of the composition 1,4-C4H4N2.2SbF5. Its molecular structure is obtained by single crystal X-ray diffraction. Crystal data of pyrazine.2SbF(5): orthorhombic, spacegroup Pbca ($\#$ 61); a = 8.8052(8) Angstrom; b = 9.948(1) Angstrom; c = 12.297(2) Angstrom; V = 1077.1(2) Angstrom(3); Z = 4; T = 173(1) K; R-1(I > 3sigma (I)) = 0.031; wR(2) = 0.083. The Sb-F-4(eq) planes are eclipsed and the planar C4H4N2 ring is at a 45degrees angle to give D-2h symmetry for pyrazine.2SbF(5). A very similar high symmetry conformation of pointgroup D-4h is found for the [Sb2F11](-) anion in the metal carbonyl salts [Rh(CO)(4)][Sb2F11], [Au(CO)(2)][Sb2F11] and in [H3F2][Sb2F11]. Structural data for pyrazine.2SbF(5) and [Sb2F11](-) from [H3F2][Sb2F11], as well as vibrational data for [Sb2F11](-) (D-4h) are compared to calculated (DFT-B3LYP) data. According to the DFT calculations, the conformation for the[Sb2F11](-) anion (D-4h) and pyrazine.2SbF(5) (D-2h) are both eclipsed with respect to the SbF5-groups and eclipsed with respect to the pyrazine plane in pyrazine.2SbF(5) in their respective ground states. (C) 2002 Editions scientifiques et medicales Elsevier SAS. All rights reserved.},
	keywords = {ADDUCTS, antimony(V) fluoride, CATIONS, CRYSTAL, F-19, fluoroantimonate anion, HEXACARBONYLS, high symmetry conformation, Lewis acid-base adducts, N-donor complex of antimony(V) fluoride, superacid anion, UNDECAFLUORODIANTIMONATE(V), VIBRATIONAL-SPECTRA},
	isbn = {1293-2558},
	url = {<Go to ISI>://000180356800016},
	author = {Sham, I. H. T. and Patrick, B. O. and von Ahsen, B. and von Ahsen, S. and Willner, H. and Thompson, R. C. and Aubke, F.}
}
@article {502,
	title = {Experimental and calculated molecular structures and high symmetry conformations of [Sb2F11](-) (D-4h) and 1,4-C4H4N2 center dot 2SbF(5) (D-2h)},
	journal = {Solid State Sciences},
	volume = {4},
	number = {11-12},
	year = {2002},
	note = {ISI Document Delivery No.: 634TJTimes Cited: 8Cited Reference Count: 52},
	month = {Nov-Dec},
	pages = {1457-1463},
	type = {Article},
	abstract = {Antimony(V) fluoride, SbF5, forms a molecular adduct with pyrazine (1,4-diazine) of the composition 1,4-C4H4N2.2SbF5. Its molecular structure is obtained by single crystal X-ray diffraction. Crystal data of pyrazine.2SbF(5): orthorhombic, spacegroup Pbca ($\#$ 61); a = 8.8052(8) Angstrom; b = 9.948(1) Angstrom; c = 12.297(2) Angstrom; V = 1077.1(2) Angstrom(3); Z = 4; T = 173(1) K; R-1(I > 3sigma (I)) = 0.031; wR(2) = 0.083. The Sb-F-4(eq) planes are eclipsed and the planar C4H4N2 ring is at a 45degrees angle to give D-2h symmetry for pyrazine.2SbF(5). A very similar high symmetry conformation of pointgroup D-4h is found for the [Sb2F11](-) anion in the metal carbonyl salts [Rh(CO)(4)][Sb2F11], [Au(CO)(2)][Sb2F11] and in [H3F2][Sb2F11]. Structural data for pyrazine.2SbF(5) and [Sb2F11](-) from [H3F2][Sb2F11], as well as vibrational data for [Sb2F11](-) (D-4h) are compared to calculated (DFT-B3LYP) data. According to the DFT calculations, the conformation for the[Sb2F11](-) anion (D-4h) and pyrazine.2SbF(5) (D-2h) are both eclipsed with respect to the SbF5-groups and eclipsed with respect to the pyrazine plane in pyrazine.2SbF(5) in their respective ground states. (C) 2002 Editions scientifiques et medicales Elsevier SAS. All rights reserved.},
	keywords = {ADDUCTS, antimony(V) fluoride, CATIONS, CRYSTAL, F-19, fluoroantimonate anion, HEXACARBONYLS, high symmetry conformation, Lewis acid-base adducts, N-donor complex of antimony(V) fluoride, superacid anion, UNDECAFLUORODIANTIMONATE(V), VIBRATIONAL-SPECTRA},
	isbn = {1293-2558},
	url = {<Go to ISI>://000180356800016},
	author = {Sham, I. H. T. and Patrick, B. O. and von Ahsen, B. and von Ahsen, S. and Willner, H. and Thompson, R. C. and Aubke, F.}
}
@article {3230,
	title = {THE N-15-ISOTOPOMERS OF CIS-DIFLUORODIAZINE AND TRANS-DIFLUORODIAZINE - A F-19 NMR INVESTIGATION OF THE 2 [AX](2), SPIN SYSTEMS OF (N2F2)-N-15},
	journal = {Magnetic Resonance in Chemistry},
	volume = {33},
	number = {10},
	year = {1995},
	note = {ISI Document Delivery No.: RY962Times Cited: 3Cited Reference Count: 24},
	month = {Oct},
	pages = {817-822},
	type = {Article},
	abstract = {The decomposition of (N3P)-N-15 at - 20 degrees C leads to cis- and trans-(N2F2)-N-15. The corresponding F-19 NMR spectra were analysed as [AX](2) systems. F-19, N-15 and N-14 NMR spectra were simulated using the novel PC program systems DSYMPCD, DCYMPCD and WIN-DAISY running under WIN-NMR. Stereospecific coupling constants were obtained for both isomers. Comparison of the F-19 NMR spectra from both the [(1/2)A(1/2)X](2) and the[(1)A(1/2)X](2) systems in (N2F2)-N-15 and (N2F2)-N-14 overcomes the inherent ambiguities of the [AX](2) analysis.},
	keywords = {DCYMPCD, DSYMPCD, F-19, N-14, N-15, N2F2, NMR, WIN-DAISY},
	isbn = {0749-1581},
	url = {<Go to ISI>://A1995RY96200008},
	author = {Aubke, F. and Hagele, G. and Willner, H.}
}
