The structure of a thiadiazole-containing expanded heteroazaporphyrinoid determined by gas electron diffraction and density functional theory calculations.
The molecular structure of a macrocycle with a 24-membered ring, a thiadiazole-containing expanded heteroazaporphyrinoid, has been, for the first time, directly characterised by a synchronous gas electron diffraction and mass spectrometric experiment and DFT calculations; the molecule has the equilibrium structure of C(3h) symmetry with a planar macrocycle.
Zakharov
Alexander V
AV
Department of Physics, Ivanovo State University of Chemistry and Technology, Engelsa 7, 153000 Ivanovo, Russian Federation. a_zakharov@isuct.ru
Shlykov
Sergey A
SA
Bumbina
Natalia V
NV
Danilova
Elena A
EA
Krasnov
Alexander V
AV
Islyaikin
Mikhail K
MK
Girichev
Georgy V
GV