Methylboron Oxide, H<sub>3</sub>CBO

Bock, Hans; Cederbaum, Lorenz S.; Niessen, W. von; Paetzold, Peter; Rosmus, P.; Solouki, Bahman

doi:10.1002/anie.198900881

Cited by 52 publications

(37 citation statements)

References 21 publications

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“…The analogous organic compounds, the boroxanes R ± BO and borthianes R ± BS, are very reactive, and this type of compound is only known in the gas phase, as they trimerize in the condensed phase. [8,9] A recent investigation succeeded in determining and characterizing the methylborioxide H 3 C ± BO, [10] which is isolobal with the [(CO) 5 Mn ± (BO)] [11] investigated in the present work. The metal organic boroxanes [L n M ± (B O)] could be expected to have reactivities similar to those found for organic boroxanes R ± BO.…”

Section: Introductionmentioning

confidence: 99%

Alternatives to the CO Ligand: Coordination of the Isolobal Analogues BF, BNH2, BN(CH3)2, and BO− in Mono- and Binuclear First-Row Transition Metal Complexes

et al. 1998

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, which is a poor p acceptor owing to its high energy p* LUMO). The M(CO) n ± BE bond is therefore significantly stronger than the M(CO) n ± CO bond. The [Cr(CO) 5 (AE)] bond dissociation energy, for example, amounts to 41.8 (CO), 62.1 (BF), 72.1 (BNH 2 ), and 93.4 kcal mol À1 (BO À ). However, the high polarity of the BE ligands and the buildup of positive charge on BE suggest a low kinetic stability. Strategies for improving the kinetic stability of metal ± BE complexes are presented. Steric protection of the reactive BE frontier orbitals may be built into the ligand as in BNR 2 (with R potentially bulky) and into the metal fragment (by bulky ligands or m coordination). However, the electronic stabilization of the [M] ± BE bond seems to be just as important. We show that binuclear metal complex fragments, such Fe 2 (CO) 8 and Mn 2 (Cp) 2 (CO) 4 , have just the right frontier orbitals to accomplish this.

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Section: Introductionmentioning

confidence: 99%

Alternatives to the CO Ligand: Coordination of the Isolobal Analogues BF, BNH2, BN(CH3)2, and BO− in Mono- and Binuclear First-Row Transition Metal Complexes

et al. 1998

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“…For example, PES and theoretical studies have shown that boronyl (BO), which is isoelectronic with CN, has a strong triple bond. 34, [37][38][39] The closed-shell BO − anion is isoelectronic with CN − and CO, while the boronyl BO is a monovlaent σ radical.…”

Section: Introductionmentioning

confidence: 99%

Photoelectron Spectroscopy of BiAu^– and BiBO^–: Further Evidence of the Analogy between Au and Boronyl

2015

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Boronyl (BO) is a monovalent σ radical with a B≡O triple bond. Its chemistry has remained relatively unknown, though analogy has been established for BO with monovalent atoms, such as H or Au. Here we report a photoelectron spectroscopic study of BiAu(-) and BiBO(-), showing further evidence of the analogy between Au and BO. The photoelectron spectra of BiAu(-) and BiBO(-) are found to be similar, suggesting that they possess similar electronic structure and chemical bonding. The electron affinities of BiAu and BiBO are measured to be 1.38(4) and 1.84(3) eV, respectively. The ground states of both BiAu and BiBO are shown to be a triplet (X (3)Σ(-)). In addition, vibrational structures are resolved in the spectra of BiBO(-). Two vibrational frequencies at 320(30) and 1860(50) cm(-1) are measured for the ground state of BiBO, corresponding to the Bi-B and B-O stretching modes, respectively. The low-lying electronic excited states of BiAu and BiBO are also found to be similar: their first four excited states are A (1)Δ, B (1)Σ(+), C (3)Π, and D (1)Π, with excitation energies at 0.71, 1.29, 2.54, and 2.67 eV for BiAu and 0.63, 1.26, 3.68, and 3.82 eV for BiBO, respectively, above the (3)Σ(-) ground state. Weak photoelectron features related to two-electron detachment transitions are also observed for both anions because of strong electron correlation effects in the ground state of the anions.

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“…Boronyl also maintains its integrity as a ligand in other compounds with non‐metals, for example with boron or diborene . CH 3 BO has also been generated and spectroscopically studied …”

Section: Introductionmentioning

confidence: 99%

Metallic monoboronyl compounds: Prediction of their structure and comparison with the cyanide analogues

2017

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A theoretical study of monoboronyls of different metals has been carried out. We have chosen Mg as representative of s-block elements, Al for the p-block, and Group 11 metals (Cu, Ag, and Au) for the d-block. Different behaviors are observed: bonding through the oxygen atom is preferred in the case of Al, for all Group 11 monoboronyls bonding through the boron atom prevails and both interactions give rise to almost isoenergetic compounds in the case of Mg. Predictions for the spectroscopic parameters relevant for rotational and vibrational spectroscopy of the different competitive species are provided. Al and Group 11 boronyls have relatively high dissociation energies, whereas Mg boronyl has moderate dissociation energy. The molecular structure of metal boronyls has been rationalized through an analysis of the bonding. The similarities and differences between metal boronyls and their isoelectronic cyanide analogues have been discussed. © 2017 Wiley Periodicals, Inc.

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Methylboron Oxide, H₃CBO

Cited by 52 publications

References 21 publications

Alternatives to the CO Ligand: Coordination of the Isolobal Analogues BF, BNH2, BN(CH3)2, and BO− in Mono- and Binuclear First-Row Transition Metal Complexes

Alternatives to the CO Ligand: Coordination of the Isolobal Analogues BF, BNH2, BN(CH3)2, and BO− in Mono- and Binuclear First-Row Transition Metal Complexes

Photoelectron Spectroscopy of BiAu^– and BiBO^–: Further Evidence of the Analogy between Au and Boronyl

Metallic monoboronyl compounds: Prediction of their structure and comparison with the cyanide analogues

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Methylboron Oxide, H3CBO

Cited by 52 publications

References 21 publications

Alternatives to the CO Ligand: Coordination of the Isolobal Analogues BF, BNH2, BN(CH3)2, and BO− in Mono- and Binuclear First-Row Transition Metal Complexes

Alternatives to the CO Ligand: Coordination of the Isolobal Analogues BF, BNH2, BN(CH3)2, and BO− in Mono- and Binuclear First-Row Transition Metal Complexes

Photoelectron Spectroscopy of BiAu– and BiBO–: Further Evidence of the Analogy between Au and Boronyl

Metallic monoboronyl compounds: Prediction of their structure and comparison with the cyanide analogues

Contact Info

Product

Resources

About

Methylboron Oxide, H₃CBO

Photoelectron Spectroscopy of BiAu^– and BiBO^–: Further Evidence of the Analogy between Au and Boronyl