Diborane Research Articles

The disposition of bridge hydrogen bond in the homopolar-diborane and its derivatives

Compounds that comprehend less valence electrons are designated as electron deficient and atoms involved in such compounds occasionally form three-center-two-electron (3c-2e-) bonds to engross all of their available valence orbitals in bonding. Hence, in this study, calculations using M06-2X, MP2, and CCSD(T) method with the inclusion of def2-TZVP basis sets are exploited to reconnoiter the authentic bonding portrayal in diborane (DB) and its derivatives. Molecular electrostatic potential (MEP) analysis on the basis of vSmax and vSmin values indicates that there is a charge transfer between a π-hole that encompasses one monomer and the most negative region of another monomer that results in the formation of bridge bonds between two monomers. QTAIM investigation directed towards the charge depletion at bridging fragment in all the complexes and disclosed the polar covalent nature of bridge hydrogen bond. Additionally, ETS-NOCV examination suggests that charge flow from bridge to boron atom of all the complexes. Additionally, the bonding found to be more through orbital interactions compared to electrostatic interactions.

Determination of diborane in the air of workplace by ICP-AES

A sampling method was established to collect diborane in the air of workplace and an ICP-AES method was developed to determine the Boron in desorbed solution. Diborane in the air of workplace was collected by solid sorbent tube filled with oxidant impregnated activated carbon. The adsorbed diborane was desorbed into 3% H2O2 aqueous, and then the desorbed Boron was determined by ICP-AES. The sampling efficiency of this method was 99.6% with the desorption efficiency of diborane with 5.660 microg and 56.6 microg spiked were 90.9% and 99.5%, respectively. Both the intra-and inter-precision RSD were less than 8%. The standard curve of this method ranged from 0.1 to 10.0 microg/ml (Boron), and the LOD and LOQ were 0.011 mg/m3 and 0.035 mg/m3 (15L samples) respectively. The method established was suitable for diborane sampling and determination in the air of workplace.

Substitution Effects of Diborane on the Interaction with Borazine (Inorganic Benzene)

The gas phase interaction between borazine (IBz) and diborane (DB) has been investigated using MP2/6-311++G** and M05-2X/6-311++G** methods. The calculations have also been carried out at the same levels on the intermolecular complex formed between benzene (Bz) and DB to compare the modes of interaction. The complexation pattern found in IBz...DB is similar to that of Bz...DB due to their structural similarity. The calculated stabilization energies (SEs) at the MP2/6-311++G** level of theory for IBz...DB and Bz...DB complexes are 1.67 and 3.06 kcal/mol, respectively. The corresponding values obtained from the M05-2X/6-311++G** level of calculation are 2.55 and 3.43 kcal/mol. The variation in the SEs between IBz...DB and Bz...DB is due to the differences in the pi-electron distributions of IBz and Bz rings. Since, DB contains a three center-two electron (3c-2e) electron deficient bond, the substitution of nonbridge hydrogen atoms (H) by different functional groups may influence the nature of interaction between the DB and IBz. Thus, the nonbridge H atom in DB has been substituted by electron withdrawing (CN and Cl) and electron donating (CH(3)) groups. The interaction between substituted DBs and IBz has also been investigated using CCSD(T), MP2, and M05-2X methods. Results reveal that the substitution of the nonbridge H atom of DB by a cyano group significantly influences the calculated stabilization energies (SEs) and geometrical parameters whereas substitution by Cl and CH(3) groups marginally affects the stabilities and geometrical parameters of the substituted complexes. The calculated SEs of various substituted DB and IBz complexes range from 1.87 to 7.91 kcal/mol. Furthermore, evidence shows that SEs vary linearly with the number of substituents present in the complexes. The energy decomposition analysis using the density functional theory-symmetry adopted perturbation theory (DFT-SAPT) method confirms the predominant role played by the dispersion interaction in the stabilization of the various complexes when compared to the electrostatic interaction.

Synthesis of a Stable B2H5+ Analogue by Protonation of a Double Base‐Stabilized Diborane(4)

Synthesis of a Stable B₂H₅⁺ Analogue by Protonation of a Double Base‐Stabilized Diborane(4)

Conversion of Phthalimides to Isoindolines by Diborane

Reduction of N-alkylsubstituted phthalimides to the corresponding isoindolines by means of diborane is herein described.

Di(isopropylprenyl)borane: A New Hydroboration Reagent for the Synthesis of Alkyl and Alkenyl Boronic Acids.

AbstractFor Abstract see ChemInform Abstract in Full Text.

Di(isopropylprenyl)borane: A new hydroboration reagent for the synthesis of alkyl and alkenyl boronic acids.

Di(isopropylprenyl)borane: A new hydroboration reagent for the synthesis of alkyl and alkenyl boronic acids.

Di(isopropylprenyl)borane: A New Hydroboration Reagent for the Synthesis of Alkyl and Alkenyl Boronic Acids

Vom Guten das Beste: Das Hydroborierungs-Reagens 1 verbindet die Selektivität von Disiamylboran (2) mit der Reaktivität der Allylborane 3 gegenüber Carbonylverbindungen. Da die Boronsäuren durch einfache Hydrolyse in protischem Medium mit bis zu 99 % Anti-Markownikow-Selektivität entstehen, können auch die sonst üblichen oxidativen Aufarbeitungsbedingungen vermieden werden. Eine Eintopfreaktion aus Hydroborierung und Suzuki-Miyaura-Reaktion erweitert den Nutzen von 1 für Synthesen.

Comparison of B–B π-bonding in singly reduced and neutral diborane (4) derivatives: isolation and structure of [{Li(Et2O)2}{MeO(mes)BB(mes)OMe}

A single-crystal X-ray diffraction study of [{Li(Et2O)2}-{MeO(mes)BB(mes)OMe}]1(mes = C6H2Me3-2,4,6) allows the first structural comparison between singly reduced and neutral diborane(4) species; compound 1 features a shortened B–B bond distance of 1.636(7)Å which may be compared to the 1.724(9)Å observed in the neutral precursor MeO(mes)BB(mes)OMe 2 and a distance of 1.62–1.64 Å observed in related doubly reduced [R2BBR2]2– species; the B–B bond in 1, which has a formal π-bond order of 0.5, is thus similar in length to that found in the doubly reduced diborane(4) dianions that possess a formal B–B π-bond order of unity.

Contribution to the Chemistry of Boron, 222. — Chemistry of Diborane(4) Derivatives: Mixed Tetraaminodiboranes(4) and Additions of Diborane(4) Derivatives to an Amino‐imino‐borane

Contribution to the Chemistry of Boron, 222. — Chemistry of Diborane(4) Derivatives: Mixed Tetraaminodiboranes(4) and Additions of Diborane(4) Derivatives to an Amino‐imino‐borane

Hindered organoboron groups in organic synthesis. 15. 1 preparation and properties of Di(2,4,6-triisopropylphenyl)borane

A facile, high yield preparation of bis(2,4,6[triisopropylphenyl)borane (Trip 2BH, ditripylborane) ( 1), a unique, stable, solid monomeric diorganylborane is outlined. It only slowly hydroborates alkynes and, most puzzlingly, with little regioselectivity. At room temperature ( 1) does not hydroborate alkenes.

Bis(trimethylphosphine)-diborane(4) as a reagent for borane framework expansion

Formation de composes d'addition a partir de reactions entre B 4 H 6 , B 2 H 3 et P(CH 3 ) 3

Pyrazole derivatives of diborane(4)

Abstract : The present study was based on the assumption that a neutral Boron Pyrazole species would likely exist in a polymeric structure. Therefore, it should contain the bridging Boron Pyrazole units typical for pyrazaboles but also terminal B bonded Pyrazole groups and thus would be related to B-poly(1-pyrazolyl)pyrazaboles. Furthermore, a (pz)3B-B(pz)3 ion should be similar to a RB(pz)3 ion but for the fact that the former has two polydentate sites. These possibilities should provide for interesting variations as compared to the chemistry of B-(1-pyrazolyl)pyrazaboles and poly(1-pyrazolyl)borates, respectively. Keywords: tetrakis(1-pyrazolyl)dibor ane(4), (monomer, oligomers), bis(pyrazole)-tetrakis(1-pyrazolyl)diborane(4), hexakis(1-pyrazolyl)diborane(4) ate complexes.

Isolation and characterization of bis(trimethylamine)-diborane(4)

Isolement sous forme de solide sublimable. Etude des proprietes qui different de celles de l'analogue trimethylphosphine

On the reduction of β-lactams with diborane

Reduction of β-lactams and penicillins with diborane produces 1,3-amino-alcohols and not, as previously reported, azetidines.

Low-power-pulsed carbon dioxide-laser-induced chemistry of sulfur hexafluoride-sensitized diborane. Evidence for thermal steering

Low-power-pulsed carbon dioxide-laser-induced chemistry of sulfur hexafluoride-sensitized diborane. Evidence for thermal steering

ChemInform Abstract: ORGANOBORANES IN ORGANIC SYNTHESIS. IX. CARBONYLATION PRODUCTS OF ORGANOBORANES DERIVED FROM MYRCENE

Abstract Myrcene and thexylborane react in the ratio 2 3 to give a mixture of two boranes, only one of which is carbonylated with cyanide/trifluoroacetic anhydride, followed by oxidation, to give 3-hydroxymethyl-6-isopropyl-2-methylcyclohexanone (A). The positions of hydroboration are established by synthesis of the hydroboration/oxidation products. The cyanidation of the organoboranes derived from myrcene and diborane leads to a 2 3 mixture of A and 5-(2′-hydroxyethyl)-2-isopropylcyclohexanone, the structures of which are established by independent synthesis. The hydroboration of myrcene is shown to be relatively non-stereospecific.

Preparation and characterization of (1,2-dibromo)[1,2-bis(dimethylamino)]diborane(4)-titanium(III) bromide

Preparation and characterization of (1,2-dibromo)[1,2-bis(dimethylamino)]diborane(4)-titanium(III) bromide

Release of diborane into the upper atmosphere

Diborane (DB) has been released in twilight and produced brilliant greenish trails and puffs in the 90- to 150-km altitude region. The emission was identified as the fluorescent solar scattering by BO2 molecules. No chemiluminescence was observed, contrary to expectations from laboratory studies. The absence of chemiluminescence limits the use of DB as an atmospheric tracer to dawn and dusk periods. The radial spread of the gaseous DB releases was more confined than that of the liquid trimethylaluminum (TMA) releases; thus improved triangulation was possible.

Mechanism of dehydroxyhalogenation by diborane and iodine: Evidence from the inversion of octan-2-ol

Mechanism of dehydroxyhalogenation by diborane and iodine: Evidence from the inversion of octan-2-ol