Notizen: Zur Kenntnis eines Methylaluminiumdiazids CH3Al(N3)2

Wiberg, Egon; Michaud, Horst

doi:10.1515/znb-1954-0714

Cited by 7 publications

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“…The highly explosive lithium tetraazidoborate ( 1 ) was prepared according to a slightly modified procedure (cf. ref ) by the reaction of lithium tetrahydridoborate with etheral hydrazoic acid. Hydrazoic acid was conveniently prepared by treatment of sodium azide with etheral tetrafluoroboric acid.…”

Section: Resultsmentioning

confidence: 99%

“…The chemistry of boron azides, first reported by E. Wiberg et al in 1954, was further investigated by P. I. Paetzold, − and the field has been reviewed. , Although the tetraazidoborate anion is known for more than 40 years, no spectroscopic data exist . Structural and spectroscopic data for boron dichloride azide (trimeric) 7,8 and dimethylboron azide have, however, been reported in the literature .…”

Section: Introductionmentioning

confidence: 99%

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Highly Energetic Tetraazidoborate Anion and Boron Triazide Adducts

et al. 2001

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The first crystal structures of the highly energetic tetraazidoborate anion and boron triazide adducts with quinoline and pyrazine as well as of tetramethylpiperidinium azide have been determined. Synthesis procedures and thorough characterization by spectroscopic methods of these hazardous materials are given. Quantum chemical calculations were carried out for B(N(3))(4)(-), B(N(3))(3), C(5)H(5)N.B(N(3))(3), (N(3))(3)B.NC(4)H(4)N.B(N(3))(3), and the hypothetical C(3)H(3)N(3).[B(N(3))(3)](3) at HF, MP2, and B3-LYP levels of theory. The structure of tetraazidoborate was optimized to S(4) symmetry and confirmed the results obtained from the X-ray diffraction analysis. The dissociation enthalpies for the pyridine (model for quinoline) as well as for the pyrazine adduct were calculated. For pyridine-boron triazide a value of 10.0 kcal mol(-1) (for pyrazine-bis(boron triazide) an average of 2.35 kcal mol(-1) per BN unit) was obtained.

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Section: Resultsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Highly Energetic Tetraazidoborate Anion and Boron Triazide Adducts

et al. 2001

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“…Tetrazoles can be directly synthesized via a [2 + 3] dipolar cycloaddition reaction between an azide and a nitrile. When azide salts play the role of the dipole, 1 H -tetrazoles can be formed in high yield; when organic azides are used, the 1,5-disubstituted regioisomer is observed exclusively (see Scheme ) 1 [2 + 3] Dipolar Cycloaddition of Azides and Nitriles …”

Section: Introductionmentioning

confidence: 99%

Density Functional Theory Study of the Intramolecular [2 + 3] Cycloaddition of Azide to Nitriles

2003

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Density functional theory calculations using the hybrid functional B3LYP have been performed to study tetrazole formation by intramolecular [2 + 3] dipolar cycloaddition of organic azides and nitriles. Experimental reactivity trends are explained and rationalized in terms of a number of parameters, such as strain, tether length, and solvation and entropy effects. Interestingly, no correlation was found between the overall free energies and the free energies of activation of the reactions, due to the significant difference in strain and geometry between the transition states and products.

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“…e chemistry of boron azides commenced in 1954 with the synthesis of boron triazide B(N 3 ) 3 [2]; since then, it developed slowly. In 1963, Paetzold produced trimeric (Cl 2 BN 3 ) 3 from the reaction of LiN 3 and BCl 3 in CH 2 Cl 2 solution [3].…”

Section: Introductionmentioning

confidence: 99%

Theoretical Investigation on Structure-Property Relationship of Asymmetric Clusters (CH₃FBN₃)_n (n = 1– 6)

Wei

et al. 2020

Journal of Chemistry

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The structural, relative stability, electronic, IR vibrational, and thermodynamic properties of asymmetric clusters (CH3FBN3)n (n = 1–6) are systematically investigated using density functional theory (DFT) method. Results show that clusters (CH3FBN3)n (n = 2–6) form a cyclic structure with a B atom and a Nα atom binding together. Five main characteristic regions are observed and assigned for the calculated IR spectra. The size-dependent second-order energy difference shows that clusters (CH3FBN3)3 and (CH3FBN3)5 have relatively higher stability and enhanced chemical inertness compared with the neighboring clusters. These two clusters may serve as the cluster-assembled materials. The variations of thermodynamic properties with temperature T or cluster size n are analyzed, respectively. Based on enthalpies in the range of 200–800 K, the formations of the most stable clusters (CH3FBN3)n (n = 2–6) from monomer are thermodynamically favorable. These data are helpful to design and synthesize other asymmetric boron azides.

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Notizen: Zur Kenntnis eines Methylaluminiumdiazids CH₃Al(N₃)₂

Abstract: Benzol nicht löslich ist. Durch Auswaschen des Bodenkörpers mit Tetrahydrofuran kann es dann vom NaCl und überschüssigen NaN3 als tetrahydrofuranische Lö-sung abgetrennt werden.

Cited by 7 publications

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Highly Energetic Tetraazidoborate Anion and Boron Triazide Adducts

Highly Energetic Tetraazidoborate Anion and Boron Triazide Adducts

Density Functional Theory Study of the Intramolecular [2 + 3] Cycloaddition of Azide to Nitriles

Theoretical Investigation on Structure-Property Relationship of Asymmetric Clusters (CH₃FBN₃)_n (n = 1– 6)

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Notizen: Zur Kenntnis eines Methylaluminiumdiazids CH3Al(N3)2

Abstract: Benzol nicht löslich ist. Durch Auswaschen des Bodenkörpers mit Tetrahydrofuran kann es dann vom NaCl und überschüssigen NaN3 als tetrahydrofuranische Lö-sung abgetrennt werden.

Cited by 7 publications

References 0 publications

Highly Energetic Tetraazidoborate Anion and Boron Triazide Adducts

Highly Energetic Tetraazidoborate Anion and Boron Triazide Adducts

Density Functional Theory Study of the Intramolecular [2 + 3] Cycloaddition of Azide to Nitriles

Theoretical Investigation on Structure-Property Relationship of Asymmetric Clusters (CH3FBN3)n (n = 1– 6)

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Notizen: Zur Kenntnis eines Methylaluminiumdiazids CH₃Al(N₃)₂

Theoretical Investigation on Structure-Property Relationship of Asymmetric Clusters (CH₃FBN₃)_n (n = 1– 6)