Synthesis and Structures of Heterocyclic Azidogallanes [(CH3)ClGaN3]4and [(CH3)BrGaN3]3en Route to [(CH3)HGaN3]x:  An Inorganic Precursor to GaN

Kouvetakis, John; McMurran, Jeff; Steffek, Cory; Groy, T. L.; Hubbard, John L.

doi:10.1021/ic000053h

Cited by 29 publications

(9 citation statements)

References 12 publications

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“…The trimer (F 2 AlN 3 ) 3 was not been reported previously. However, the trimeric structures of other group 13 azides had been observed, such as (H 2 AlN 3 ) 3 [18], (R 2 AlN 3 ) 3 (R = Me and Et) [10,11,26], (H 2 GaN 3 ) 3 [12,13], (Cl 2 GaN 3 ) 3 [16], and [(CH 3 )BrGaN 3 ] 3 [27]. When n = 4, four stable structures (4A-4D) were obtained, possessing C s , S 4 , C i and C 2 symmetry with Al 4 N 4 core structures (the N 2 portion of the N 3 group also omitted for clarity reasons), respectively.…”

Section: Resultsmentioning

confidence: 99%

Density functional theory study on (F2AlN3) n (n = 1–4) clusters

Xia

Qing-fu

et al. 2011

Struct Chem

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Possible geometrical structures and relative stabilities of (F 2 AlN 3 ) n (n = 1-4) clusters were studied using density functional theory at the B3LYP/6-311?G* level. The optimized clusters (F 2 AlN 3 ) n (n = 2-4) possess cyclic structure containing Al-N a -Al linkages, and azido in azides has linear structure. The IR spectra of the optimized (F 2 AlN 3 ) n (n = 1-4) clusters have three vibrational sections, the whole strongest vibrational peaks lie in 2218-2246 cm -1 , and the vibrational modes are N 3 asymmetric stretching vibrations. Trends in thermodynamic properties with temperature and oligomerization degree n are discussed, respectively. A study of their thermodynamic properties suggests that monomer 1A forms the most stable clusters (2A, 3A, and 4B) can occur spontaneously in the gas phase at temperatures up to 800 K.

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Section: Resultsmentioning

confidence: 99%

Density functional theory study on (F2AlN3) n (n = 1–4) clusters

Xia

Qing-fu

et al. 2011

Struct Chem

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“…Br 2 GaN 3 + 2 LiGaF^ -» h^GaNj + 2 LiBr+ 2GaH 3 (2) Attempts to synthesize H2AIN3 by similar methods were unsuccessful or at best resulted in polymeric ΗχΑΙΝ·; solids that are very unstable and explosive. F^GaN·) was prepared in nearly quantitative yields from a convenient synthetic route summarized below (Eq 2).…”

Section: Resultsmentioning

confidence: 99%

Synthesis of New Azidoalanes With Heterocyclic Molecular Structures

Kouvetakis¹,

McMurran²,

Steffek³

et al. 2001

Main Group Metal Chemistry

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The synthesis of the tetrameric azidoalanes [(CFtyClAl^fo (1) and [(CH3)BrAlN3]4 (2) with heterocyclic cyclooctane-like structures has been demonstrated. X-ray structural determinations reveal that 1 and 2 consist of AI4N4 eight-membered rings in which the Al atoms are bridged by the α nitrogens of the azide groups.[(CH3)C1AIN^]4 (1) crystallizes in the tetragonal space group P2jC with a = 11.077(4) , c = 8.662(4) , V = 1062.9(8) and Ζ = 8. [(Ch^BrAlN^k (2) crystallizes in the monoclinic space group P2.with a = 8.6702(12) ,6= 11.1311(15) c = 11.7501(16) , α = 90°, β = 97.913(2)°, γ= 90°, V = 1123.23(3)3 and Ζ = 8. The reaction of AlH3»N(CH3)3with HN3 resulted in formation of an azidoalane with composition close to A1H2N3»N(CH3)3 (3). This compound is unstable with respect to loss of H2 and N(CH3)3 at room temperature.

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“…The Ga-Cl bonds ranging from 2.198 Å to 2.217 Å are significantly longer than the terminal Ga-Cl bonds in [Cl 2 Ga(l-Cl)] 2 (2.06 Å) [23], [Cp ⁄ Ga(l-Cl)Cl] 2 (2.12 Å) [16], but comparable to those in [HClGa(l-N 3 )] 4 (avg. 2.171 Å) [24], ] 4 (2.177 Å) [25], [Cl 2 Ga(l 2 -N(H)SiMe 3 )] 2 (2.150 Å) [26], and [MeClGa(l 2 -N(H)SiMe 3 )] 2 (2.212 Å) [27]. The Cp ⁄ -Ga bonds are similar in length to those in compound 2.…”

Section: X-ray Crystallographic Characterization Of Cyclopentadienylgmentioning

confidence: 81%