In this study, the molecular structure of p-diisocyanobenzene has been determined by gas-phase electron diffraction and quantum chemical calculations. The electron diffraction intensities from a previous study by Colapietro et al. (J Mol Struct 125:19-32, 1984) have been reanalyzed using geometrical constraints and initial values of vibrational amplitudes from computations. The equilibrium structure of the molecule has D (2h) symmetry, whereas the average geometry in the gaseous phase is best described by a non-planar model of C (2v) symmetry. The lowering of symmetry is due to large-amplitude motion of the substituents out of the plane of the benzene ring. The non-planar model has an internal ring angle at the ipso position, a (a)C2-C1-C6 ...
The average (ra) structure of vapor phase C5H5P, the phosphorus congener of pyridine, was deduced. V...
An examination by the x-ray diffraction ionization method was made of benzene, toluene, o-, m- and p...
Density functional theory BLYP and ab initio HF calculations have been carried out to investigate th...
The molecular structures of ethynylbenzene and s-triethynylbenzene have been accurately determined b...
The molecular structure of p-diethynylbenzene has been determined by gas-phase electron diffraction ...
The merits and limitations of gas-phase electron diffraction as a technique for determining accurate...
Dorofeeva OV, Vishnevskiy YV, Vogt N, et al. Molecular structure and conformation of nitrobenzene re...
Mitzel NW, Brain PT, Hofmann MA, Rankin DWH, Schrock R, Schmidbaur H. The molecular structures of th...
The structures of benzoic acid (C6H5COOH) and 2-hydroxybenzoic acid (C6H4OHCOOH) have been determine...
The molecular structure and conformation of p-bis(trimethylsilyl)benzene have been investigated by g...
Electronic structure of 4-hydroxycyanobenzene in the gas phase, thick films, and single crystals has...
Electronic structure of 4-hydroxycyanobenzene in the gas phase, thick films, and single crystals has...
Electronic structure of 4-hydroxycyanobenzene in the gas phase, thick films, and single crystals has...
Electronic structure of 4-hydroxycyanobenzene in the gas phase, thick films, and single crystals has...
Electronic structure of 4-hydroxycyanobenzene in the gas phase, thick films, and single crystals has...
The average (ra) structure of vapor phase C5H5P, the phosphorus congener of pyridine, was deduced. V...
An examination by the x-ray diffraction ionization method was made of benzene, toluene, o-, m- and p...
Density functional theory BLYP and ab initio HF calculations have been carried out to investigate th...
The molecular structures of ethynylbenzene and s-triethynylbenzene have been accurately determined b...
The molecular structure of p-diethynylbenzene has been determined by gas-phase electron diffraction ...
The merits and limitations of gas-phase electron diffraction as a technique for determining accurate...
Dorofeeva OV, Vishnevskiy YV, Vogt N, et al. Molecular structure and conformation of nitrobenzene re...
Mitzel NW, Brain PT, Hofmann MA, Rankin DWH, Schrock R, Schmidbaur H. The molecular structures of th...
The structures of benzoic acid (C6H5COOH) and 2-hydroxybenzoic acid (C6H4OHCOOH) have been determine...
The molecular structure and conformation of p-bis(trimethylsilyl)benzene have been investigated by g...
Electronic structure of 4-hydroxycyanobenzene in the gas phase, thick films, and single crystals has...
Electronic structure of 4-hydroxycyanobenzene in the gas phase, thick films, and single crystals has...
Electronic structure of 4-hydroxycyanobenzene in the gas phase, thick films, and single crystals has...
Electronic structure of 4-hydroxycyanobenzene in the gas phase, thick films, and single crystals has...
Electronic structure of 4-hydroxycyanobenzene in the gas phase, thick films, and single crystals has...
The average (ra) structure of vapor phase C5H5P, the phosphorus congener of pyridine, was deduced. V...
An examination by the x-ray diffraction ionization method was made of benzene, toluene, o-, m- and p...
Density functional theory BLYP and ab initio HF calculations have been carried out to investigate th...