Organoindium azides: new precursors to indium nitride

Fischer, Roland A.; Sussek, Harald; Miehr, Alexander; Pritzkow, Hans; Herdtweck, E.

doi:10.1016/s0022-328x(97)00333-1

Cited by 48 publications

(19 citation statements)

References 25 publications

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“…According to the results of the density functional calculations, the values of total energy for derivatives (a) with N Py ǞM bonds are larger than those for the corresponding compounds (b) without these contacts for all species studied. The differences between the energy values for the starting materials lie within the range 7.03 (20) to 35.04 kcal mol -1 (16). The analogous values for the rearrangement products are 5.89 (20) to 41.27 kcal mol -1 (16).…”

Section: Density Functional Study On Metal Complexes and Nucleophilicmentioning

confidence: 76%

“…The differences between the energy values for the starting materials lie within the range 7.03 (20) to 35.04 kcal mol -1 (16). The analogous values for the rearrangement products are 5.89 (20) to 41.27 kcal mol -1 (16). It is of interest to note that the total energy of 9a(fac) is practically identical to that of 9a(mer):…”

Section: Density Functional Study On Metal Complexes and Nucleophilicmentioning

confidence: 80%

“…Interestingly, the most closely related structure, that of [In(N 3 ) 3 -Py 3 ], [20] 106.94 (9) No short contacts between In and the fluorine atoms of the C 6 F 5 groups are found in the solid state. The shortest In···F contact in 9 of 3.585 Å (where F is an ortho-fluorine atom) is larger than the sum of the van der Waals radii of indium and fluorine (3.40 Å).…”

Section: Molecular Structure Ofmentioning

confidence: 99%

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ortho‐Directed Metathetical Fluoride/Amide Exchange in (Pentafluorophenyl)amides

Shutov¹,

Karlov²,

Harms³

et al. 2007

Eur J Inorg Chem

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The indium tris(amide)s [(Et2N)3–nIn{N(C6F5)(2‐C5H4N)}n] [n = 1 (15), 2 (16) or 3 (9)] have been prepared by treatment of [In(NEt2)3]2 (3) with a stoichiometric amount of (2‐C5H4N)(C6F5)NH (1). The analogous reaction of Bi(NMe2)3 (2) with 3 equiv. of amine 1 and the treatment of BiCl3 (5) with a stoichiometric amount of (2‐C5H4N)(C6F5)NLi (4) both lead to [Bi{N(C6F5)(2‐C5H4N)}3] (10). In contrast, only the difluoride 11 or the monofluoride 12, which are the products of intramolecular ortho‐directed exchange of NMe2 and F substituents, are obtained from the reaction of 2 with 1 or 2 equiv. of 1, respectively. The reaction between Me3Sb(Hal)2 [Hal = Br (7) Cl, (8)] and 1 or 2 equiv. of lithium salt 4 gives the corresponding stable monoamides [Me3(Hal)Sb{N(C6F5)(2‐C5H4N)}] [Hal = Br (17), Cl (18)] or bis(amide) [Me3Sb{N(C6F5)(2‐C5H4N)}2] (19), respectively. The structure of 9 has been confirmed by an X‐ray structure analysis, and density functional calculations data have been used to explain the possible reaction pathway of the ortho‐directed metathetical fluoride/amide exchange.(© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2007)

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Section: Density Functional Study On Metal Complexes and Nucleophilicmentioning

confidence: 76%

Section: Density Functional Study On Metal Complexes and Nucleophilicmentioning

confidence: 80%

Section: Molecular Structure Ofmentioning

confidence: 99%

See 1 more Smart Citation

ortho‐Directed Metathetical Fluoride/Amide Exchange in (Pentafluorophenyl)amides

Shutov¹,

Karlov²,

Harms³

et al. 2007

Eur J Inorg Chem

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“…The average In−C distance of 2.254(2) Å is in good agreement with the values of 2.257(5) and 2.251(1) Å for the In−(C,N) distances in polymeric [Me 2 InCN] ∞ and [In(CN) 3 ] ∞ . The In−N distances of 2.348(2) Å for the equatorial and 2.306(2) Å for the axial pyridine ligands are longer than the Ga−N py distances in [(py) 2 Ga(CN) 3 ] but are in good agreement with the In−N py distances in similar In pyridine complexes …”

Section: Resultsmentioning

confidence: 93%

Preparation and Characterization of Group 13 Cyanides

Haiges

Deokar

Vasiliu

et al. 2017

Chemistry A European J

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Binary Group 13 cyanides [PPh ][Ga(CN) ], [PPh ] [In(CN) ], and [PPh ] [Tl(CN) ] were obtained in quantitative yields from the corresponding metal trifluorides MF (M=Ga, In, Tl) by fluoride-cyanide exchange reactions with Me SiCN in the presence of stoichiometric amounts of [PPh ]CN in acetonitrile solution. The 2,2'-bipyridine (bipy) adducts [(bipy) Ga(CN) ][Ga(CN) ], [(bipy)In(CN) ], and [(bipy)Tl(CN) ] were obtained from the reaction of MF with Me SiCN and bipy in acetonitrile. While the reaction of the metal trifluorides with Me SiCN in acetonitrile resulted in recovery of the starting materials, the reaction of MF with Me SiCN in pyridine (py) solution resulted in the formation of the pyridine adducts [(py) Ga(CN) ], [(py) In(CN) ], and [(py) Tl(CN) ]. The cyano compounds were characterized by their vibrational spectra and, in most cases, by their X-ray crystal structures.

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“…Table I gives the optimized geometric parameters for the H 2 GaN 3 monomer at the DFT/B3LYP level with different basis sets. Figure 1 shows the [21] compound forms a polymeric structure in which cross-linking of the In atoms occurs via the ␥-nitrogen of the N 3 ligand.…”

Section: Methodsmentioning

confidence: 99%

Structures and properties of (H₂GaN₃)_n (n = 1–4) clusters: A DFT study

Xia

et al. 2004

Int J of Quantum Chemistry

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ABSTRACT:Computations on the systems of (H 2 GaN 3 ) n (n ϭ 1-4) are performed using the density functional theory (DFT)/B3LYP method with different basis sets. (H 2 GaN 3 ) 2 possessing D 2h symmetry is found to exhibit the planar Ga 2 N 2 ring structure. (H 2 GaN 3 ) 3 involving a six-membered Ga 3 N 3 ring is found to exhibit two minima with very similar binding energies (ca. Ϫ235 ϳ Ϫ231 kJ ⅐ mol Ϫ1 ). One minimum is the newly found boat-like conformation possessing C s symmetry. Another minimum possessing C 3v symmetry is the chair-like conformation. (H 2 GaN 3 ) 4 occurs in several structures with Ga 4 N 4 eight-membered ring structures that correspond to minima with slight energy differences among them. The structural changes of the clusters are large compared with the monomer. Frequency calculations are carried out on each optimized structure, and their infrared (IR) spectra are discussed. Thermodynamic properties demonstrate that the systems of H 2 GaN 3 occur at dimertrimer-tetramer equilibrium, and the trimer is the main component.

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Organoindium azides: new precursors to indium nitride

Cited by 48 publications

References 25 publications

ortho‐Directed Metathetical Fluoride/Amide Exchange in (Pentafluorophenyl)amides

ortho‐Directed Metathetical Fluoride/Amide Exchange in (Pentafluorophenyl)amides

Preparation and Characterization of Group 13 Cyanides

Structures and properties of (H₂GaN₃)_n (n = 1–4) clusters: A DFT study

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Organoindium azides: new precursors to indium nitride

Cited by 48 publications

References 25 publications

ortho‐Directed Metathetical Fluoride/Amide Exchange in (Pentafluorophenyl)amides

ortho‐Directed Metathetical Fluoride/Amide Exchange in (Pentafluorophenyl)amides

Preparation and Characterization of Group 13 Cyanides

Structures and properties of (H2GaN3)n (n = 1–4) clusters: A DFT study

Contact Info

Product

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Structures and properties of (H₂GaN₃)_n (n = 1–4) clusters: A DFT study