16949-12-5Relevant articles and documents
Enthalpies of Formation of Gas-Phase N3, N3-, N5+, and N5- from Ab Initio Molecular Orbital Theory, Stability Predictions for N5+ N3- and N5+N5-, and Experimental Evidence for the Instability of N5+N3-
Dixon, David A.,Feller, David,Christe, Karl O.,Wilson, William W.,Vij, Ashwani,Vij, Vandana,Jenkins, H. Donald Brooke,Olson, Ryan M.,Gordon, Mark S.
, p. 834 - 843 (2004)
Ab initio molecular orbital theory has been used to calculate accurate enthalpies of formation and adiabatic electron affinities or ionization potentials for N3, N3-, N5 +, and N5-/su
Crystal Growth and Characterization of the Mixed-Cation Rb+/[XeF5]+ and Cs+/[XeF5]+ Salts
Mazej, Zoran,Goreshnik, Evgeny
, p. 2800 - 2807 (2017/06/13)
Reactions between ASbF6 (A = Rb, Cs) and [XeF5][SbF6] in anhydrous HF in 1:1 molar ratios yielded isotypic A[XeF5][SbF6]2 compounds upon crystallization. The A[XeF5][SbF6]2 (A = Rb, Cs) salts crystallize in two crystal modifications at low (α phase, 150 K) and ambient (β phase, 296 K) temperatures. Similar reactions between CsBiF6 and [XeF5][SbF6] (1:1) yielded mixed-cation/mixed-anion compounds Cs[XeF5][BixSb1–xF6]2 (x = 0.37–0.39). One of the two crystallographic positions of the pnictogen atoms is randomly occupied with both Bi (ca. 40 %) and Sb (ca. 60 %) atoms. The simultaneous presence of both [SbF6]– and [BiF6]– has been confirmed by Raman spectroscopy. The low- and high-temperature phases of Bi/Sb mixed-anion compounds are isotypic with the corresponding A[XeF5][SbF6]2 (A = Rb, Cs) phases. No reactions were observed in the AAsF6 (A = Rb, Cs)/[XeF5][AsF6], ASbF6 (A = K, [H3O]+)/[XeF5][SbF6], and KBF4/[XeF5][SbF6] systems. In the CsBF4/[XeF5][SbF6] system, a metathetical reaction occurred, leading to [XeF5][BF4] (orthorhombic at 150 K, Pbca space group) and CsSbF6. The latter reacted further with [XeF5][SbF6], yielding Cs[XeF5][SbF6]2. A double-displacement reaction also proceeded between Cs2MnF6 and [XeF5][SbF6] to give [XeF5]2[MnF6] and CsSbF6. The reaction between CsPF6 and [XeF5][SbF6] proceeded with the displacement of the weaker Lewis acid, PF5, with the stronger one, SbF5, resulting in [Xe2F11][SbF6] and CsSbF6, which reacted with [XeF5][SbF6] to yield Cs[XeF5][SbF6]2.
Bis(carbonyl)platinum(II) derivatives: Molecular structure of cis-Pt(CO)2(SO3F)2, complete vibrational analysis of cis-Pt(CO)2Cl2, and attempted synthesis of cis-PT(CO)2F2
Von Ahsen, Britta,Wartchow, Rudolf,Willner, Helge,Jonas, Volker,Aubke, Friedhelm
, p. 4424 - 4432 (2008/10/08)
As part of a comprehensive study of square planar palladium(II) and platinum(II) carbonyl derivatives, the molecular structure of cis-Pt(CO)2(SO3F)2, the complete vibrational spectra of cis-Pt(CO)2Cl2, and the attempted synthesis of cis-Pt(CO)2F2 are reported, cis-Pt(CO)2(SO3F)2 is isostructural with cis-Pd(CO)2(SO3F)2 and crystallizes in the monoclinic space, group P21/n (no. 14). Crystal data: a = 7.419(1) A; b = 14.751(2) A; c =8.634(1) A; β = 89.95(1)°; V= 944.9(2) A3; Z = 4; T = 300 K; R [F(o) > 4σ(F(o)) = 0.0447 and wR2 = 0.1097. The internal bond parameters of the cis-Pt(CO)2(SO3F)2 are compared to those of cis-Pd(CO)2(SO3F)2, cis-Pt(CO)2Cl2, and [M(CO)4]2+, M = Pd, Pt. Solid cis-Pt(CO)2Cl2 is studied by IR and Raman spectroscopy, and the data are compared to those of the matrix-isolated complex by IR spectroscopy. Vibrational assignments are supported by DFT calculations, which provide, in addition to vibrational wavenumbers, estimates of IR and Raman band intensities. The positions of 12 of the expected 15 fundamentals of cis-Pt(CO)2Cl2 are obtained experimentally. Attempts to synthesize cis-Pt(CO)2F2, using, in addition to cis-Pt(Co)2X2, X = Cl or SO3F, [Pt(CO)4][Sb2F11]2 or PtF6 as starting material and toluene or anhydrous hydrogen fluoride as the reaction medium, are unsuccessful. There are however two interesting results: The reductive carbonylation of PtF6 in HF produces with [Pt(CO)4][PtF6] the first carbonyl fluoride of platinum, and the reaction of [Pt(CO)4][Sb2F11]2 and CsF in HF results in the formation of the previously reported anionic cluster complex Cs2[Pt3(CO)6](n?10). The inclusion of [M(CO)4]2+, M = Pd, Pt, provides new insights into the nature of the Pd(II)-CO and Pt(II)-CO bonds.