Reactions of the benzyne radical anion in the gas phase, the acidity of the phenyl radical, and the heat of formation of o-benzyne

1991 ◽  
Vol 113 (16) ◽  
pp. 5923-5931 ◽  
Author(s):  
Yili Guo ◽  
Joseph J. Grabowski
Keyword(s):  
Gas Phase ◽  
Radical Anion ◽  
Heat Of Formation ◽  
Phenyl Radical

scholarly journals Negative ion photoelectron spectroscopy confirms the prediction that D3h carbon trioxide (CO3) has a singlet ground state

2016 ◽  
Vol 7 (2) ◽  
pp. 1142-1150 ◽  
Author(s):  
David A. Hrovat ◽  
Gao-Lei Hou ◽  
Bo Chen ◽  
Xue-Bin Wang ◽  
Weston Thatcher Borden
Keyword(s):  
Gas Phase ◽  
Ground State ◽  
Photoelectron Spectroscopy ◽  
Radical Anion ◽  
Negative Ion ◽  
Singlet Ground State

The CO3 radical anion (CO3˙−) has been formed by electrospraying carbonate dianion (CO32−) into the gas phase.

Kinetics of the gas-phase thermal bromination of acetone. Heat of formation and stabilization energy of the acetonyl radical

1970 ◽  
Vol 92 (19) ◽  
pp. 5541-5546 ◽  
Author(s):  
Keith D. King ◽  
David M. Golden ◽  
Sidney W. Benson
Keyword(s):  
Gas Phase ◽  
Heat Of Formation ◽  
Stabilization Energy ◽  
Kinetics Of ◽  
Acetonyl Radical

STRUCTURAL, ELECTRONIC AND QSAR PROPERTIES OF THE CYFLUTHRIN MOLECULE: A THEORETICAL AM1 AND PM3 TREATMENT

2006 ◽  
Vol 17 (10) ◽  
pp. 1391-1402 ◽  
Author(s):  
EMİNE DENİZ ÇALIŞIR ◽  
ŞAKİR ERKOÇ
Keyword(s):  
Energy Level ◽  
Gas Phase ◽  
Ground State ◽  
Heat Of Formation ◽  
Tobacco Budworm ◽  
Vibrational Modes ◽  
Lumo Energy ◽  
Deciduous Fruit ◽  
Semi Empirical ◽  
Homo Energy Level

Cyfluthrin is a synthetic cyano-containing pyrethroid insecticide that has both contact and stomach poison action. It is a nonsystemic chemical used to control cutworms, ants, silverfish, cockroaches, mosquitoes, tobacco budworm and many others. Its primary agricultural uses have been for control of chewing and sucking insects on crops such as cotton, turf, ornamentals, hops, cereal, corn, deciduous fruit, peanuts, potatoes, and other vegetables. Cyfluthrin is also used in public health situations and for structural pest control. The structural, vibrational, electronic and QSAR properties of the cyfluthrin molecule in gas phase have been investigated theoretically by performing molecular mechanics method by using MM+ force field, and semi-empirical molecular orbital AM1 and PM3 calculations. The geometry of the molecule has been optimized, infrared spectrum (vibrational modes and intensities) and the electronic properties of the molecule have been calculated in its ground state. According to PM3 calculation, heat of formation of cyfluthrin molecule is about -48.58 kcal/mol (exothermic), which shows that this molecule thermodynamically be stable. The HOMO energy level for this molecule is found to be -9.701 eV and the LUMO energy level is -0.660 eV giving rise to a gap of 9.041 eV, which also indicates that cyfluthrin is thermodynamically stable.

scholarly journals Transition Metal Complexes with Tridentate Ligand: Preparation, Spectroscopic Characterization, Thermal Analysis and Structural Studies

2016 ◽  
Vol 13 (4) ◽  
pp. 770-781 ◽  
Author(s):  
Baghdad Science Journal
Keyword(s):  
Gas Phase ◽  
Transition Metal Complexes ◽  
Spectroscopic Characterization ◽  
Heat Of Formation ◽  
Electronic Energy ◽  
Molar Conductance ◽  
Tridentate Ligand ◽  
Structural Studies ◽  
1H And 13C Nmr ◽  
Ft Ir

New series of metal ions complexes have been prepared from the new ligand 1,5- Dimethyl-4- (5-oxohexan-2- ylideneamino) -2-phenyl- 1H-pyrazol-3 (2H)-one derived from 2,5-hexandione and 4-aminophenazone. Then, its V(IV), Ni(II), Cu(II), Pd(II), Re(V) and Pt(IV) complexes prepared. The compounds have been characterized by FT-IR, UV-Vis, mass and 1H and 13C-NMR spectra, TGA curve, magnetic moment, elemental microanalyses (C.H.N.O.), chloride containing, Atomic absorption and molar conductance. Hyper Chem-8 program has been used to predict structural geometries of compounds in gas phase, the heat of formation, (binding, total and electronic energy) and dipole moment at 298 K.

Formation of the distonic acetate radical anion•CH2CO2- in reactions of O-• with lactones in the gas phase

1998 ◽  
Vol 33 (7) ◽  
pp. 677-679 ◽  
Author(s):  
Monique Born ◽  
Julia Chamot-Rooke ◽  
Steen Ingemann ◽  
Nico M. M. Nibbering
Keyword(s):  
Gas Phase ◽  
Radical Anion

The Standard Redox Potential of the Phenyl Radical/Anion Couple

2003 ◽  
Vol 125 (48) ◽  
pp. 14801-14806 ◽  
Author(s):  
Claude P. Andrieux ◽  
Jean Pinson
Keyword(s):  
Redox Potential ◽  
Radical Anion ◽  
Phenyl Radical ◽  
Standard Redox Potential
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