The Oslo Electron Diffraction Units for Gas Work.

Bastiansen, Otto; Hassel, O.; Risberg, Eilif; Lamm, Ole

doi:10.3891/acta.chem.scand.09-0232

Cited by 113 publications

(7 citation statements)

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“…23 GED data for 2 were recorded several years ago on the Oslo diffraction unit. 24 Relevant information about the experiments is summarized in Table 4. Atomic scattering…”

Section: Gas Electron Diffractionmentioning

confidence: 99%

Dative σ- and π-bonding in boron–nitrogen compounds: molecular structures of (CH3)2NB(CH3)N(CH3)B(CH3)2 and [(CH3)2B]2NN(CH3)2 determined by gas electron diffraction and quantum chemical calculations

et al. 2005

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The molecular structures of dimethylamino[(dimethylboryl)methylamino]methylborane, Me2NBMeNMeBMe2 (1) and 1,1-bis(dimethylboryl)-2,2-dimethylhydrazine, (Me2B)2NNMe2 (2) have been determined by gas electron diffraction (GED), density functional theory calculations at the B3PW91/6-311++G** level and ab initio calculations at the MP2/6-311++G** level. 1 adopts an open structure similar to that of the isoelectronic hydrocarbon molecule permethylbutadiene; the central B-N bond distance at 148.0/149.3(7) pm (MP2/GED) corresponds to a single covalent N--B bond distance, the two terminal distances, 140.9/140.5(4) pm and 141.8/141.3(4) pm, correspond to the distance between N and B atoms joined by a covalent sigma-bond and a dative pi-bond. A closed form where the establishment of a dative bond between the terminal N and B atoms has led to the formation of a four-membered ring also corresponds to a minimum on the potential energy surface, but the energy is calculated to be 14.3 kJ mol(-1) higher at the MP2 level. This structure is also incompatible with the GED data. 2 adopts a structure in which a dative sigma-bond between the dimethylamino N atom and one of the boron atoms has led to the formation of a three-membered N(2)B ring. The dative sigma-bond distance is 165.5/164.0(13) pm, the two other bond distances in the ring are N-B=150.6/148.9(9) pm corresponding to a covalent sigma-bond and N-N=145.1/145.4(3) pm. The terminal B--N distance 139.6/138.9(9) pm is consistent with a covalent sigma-bond augmented by a dative pi-bond. An open Y-shaped structure also corresponds to a minimum on the potential energy surface, but the energy is 18.7 kJ mol(-1) higher (MP2) and it is incompatible with the GED data.

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“…23 GED data for 2 were recorded several years ago on the Oslo diffraction unit. 24 Relevant information about the experiments is summarized in Table 4. Atomic scattering…”

Section: Gas Electron Diffractionmentioning

confidence: 99%

Dative σ- and π-bonding in boron–nitrogen compounds: molecular structures of (CH3)2NB(CH3)N(CH3)B(CH3)2 and [(CH3)2B]2NN(CH3)2 determined by gas electron diffraction and quantum chemical calculations

et al. 2005

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“…The best overall fit was achieved with model C (chair + twist + boat), curve C in Figure 2 and c in Figure 3, with relative percentages of 62 (7):25 (7):13 (8), and the parameters used in this model are shown in Table VI. Almost the same fit was obtained when SiSiSi angles in the chair and boat were assumed to be equal.…”

Section: Structural Analysismentioning

confidence: 99%

Electron-diffraction study of gaseous cyclohexasilane

Smith¹,

Almenningen²,

Hengge³

et al. 1982

J. Am. Chem. Soc.

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“…The electron-diffraction data were collected on the Oslo apparatus. 22 The diagrams were recorded at 70 °C, using only one nozzle-to-plate distance of 476.22 mm. The amount of sample was too small to obtain experimental data at more than one camera distance.…”

Section: Methodsmentioning

confidence: 99%