Can bridged 1,6-X-[10]annulenes (X = SiH(2), SiMe(2), PH,and S) exist?

[structure: see text] In contrast to the 1,6-X-[10]annulenes (X = CH(2), O, NH) with delocalized forms (c), their X = PH and S counterparts favor the bisnorcaradiene structures (b). Forms b and c are close in energy with X = SiH(2) and SiMe(2). The computed nucleus independent chemical shifts (NICS), show both annulenes (c) and cyclic polyenes (a) to be aromatic. Strain-introduced structural localization, e.g., due to four bulky SiMe(3) substituents, reduces but does not eliminate aromaticity.     

The [4.4.4.4]Fenestranes and[2.2.2.2]paddlane. Prospects for the realization of planar tetracoordinate carbon?

Semi-empirical (MINDO/3 and UNDO) MO calculations on highly strained planar tetracoordinate carbon candidates indicate the central carbons in $\text{cis}$- [4.4.4.4] fenestrane ($\text{1}$) to have pyramidal ($\text{1a}$) and in trans-[4.4.4.]fenestrane ($\text{2}$) to have distorted tetrahedral ($\text{2a}$) geometries. In [2.2.2.2]paddlane ($\text{3}$), the two central carbons are pentacoordinate. Each is nearly coplanar with four carbon neighbours; additionally, the two bridgehead carbons are connected by a single bond ($\text{3a}$).     

The infra-red absorption spectrum of diamond

Proceedings - Mathematical Sciences - The absorption spectra of four typical diamonds, three of them luminescent and the fourth non-luminescent, have been investigated in the infra-red in the...     

Assignment of 13C resonances of a nematic liquid crystal using off-magic angle spinning

A novel method for assigning the resonances in the 13C NMR spectrum of a static liquid crystalline sample in its nematic phase is proposed. The method is based on the fact that the carbon chemical shifts in the isotropic phase and in the oriented phase under static and off-magic angle spinning (OMAS) conditions are uniquely related by the tensorial property of the CSA tensor, requiring just one OMAS spectrum and the assignment in the isotropic phase. A computational procedure is proposed to take into account deviations arising out of non-ideal experimental conditions and the assignments are made by identifying the minimum in the differences in the frequencies between calculated and experimental line positions. Practical implementation of the method has also been demonstrated in the case of the liquid crystal N-(4-ethoxybenzylidene)-4-n-butylaniline.     

Ion cyclotron resonance mass spectrometric study of ion—molecule reactions in toluene—pyridine mixtures

Ion—molecule reactions in toluene, toluene-d₈, pyridine, 4-methyl-, 4-ethyl- and 4-terr-butylpyridine and quinoline and their mixtures were studied by ICR mass spectrometry at 10^-7 Torr (1 Torr = 133.3 Pa). The reactions of benzyl (m/z 91), benzyl-d₇ (m/z 98), methylbenzyl (m/z 105), and azabenzyl (m/z 92) ions with pyridines and quinoline were observed. The reactions of protonated pyridines with unprotonated molecules leading to homoconjugated ions (BHB)⁺ were detected.