Electron impact ionization of acrylonitrile

Electronic Excitations and Low-Energy Electron-Induced Scattering Studies of Acrylonitrile (CH2CHCN)

“…The values obtained using both the methods agree well with the available theoretical 61−63 as well as experimental data. 16,64,65 The optimized geometry is further used to compute the dipole moment which is the expectation value of charge multiplied by the distance in the optimized ground state. The dipole moment of 3.87 D is computed at the HF level of theory using the quantum chemistry code in Quantemol-N, and it is in excellent agreement with the experimental value reported elsewhere.…”

“…10,14 Aside from its existence in space, this molecule is of great interest as an industrial chemical; it is widely used for synthesizing various polymeric materials such as plastics, fibers, elastomers, rubber, and resins. It is also used for the synthesis of adhesives and various antioxidants 15,16 and finds applications in the field of microelectronics to create thin films on a variety of metallic surfaces. 17,18 Despite the undoubted importance of this molecule, the literature survey reveals that there is marginal work reported in the field of electron impact cross-sectional studies at low energy (≤20 eV) except for a few papers reported on ionization cross-sections (ICSs).…”

“…The presence of acrylonitrile has also been detected in the atmosphere of Saturn’s moon Titan, a region that has long piqued the interest of scientists studying the molecular origins of life. , Aside from its existence in space, this molecule is of great interest as an industrial chemical; it is widely used for synthesizing various polymeric materials such as plastics, fibers, elastomers, rubber, and resins. It is also used for the synthesis of adhesives and various antioxidants , and finds applications in the field of microelectronics to create thin films on a variety of metallic surfaces. , …”

Fragmentation patterns of doubly charged acrylonitrile molecule following carbon core ionization

“…14 In this paper the dissociation processes of acrylonitrile dications are studied using photoelectron-photoion-photoion coincidence ͑PEPI-PICO͒ spectroscopy ͑see, e.g., Refs. [15][16][17][18][19] and articles in Ref.…”

Isomerization and Dissociation of the Acrylonitrile Radical Cation: A Theoretical Study

“…The ion-molecule reactions related with acrylonitrile have been investigated by several groups. [3][4][5][6][7][8][9] For the characterization of the acrylonitrile ion, the following experimental techniques were used: electron attachment, 10 electron impact ionization, 11 charge exchange ionization, 12 and tandem mass spectrometry.…”