Dissociative Electron Attachment to Polyatomic Molecules - II : Hydrogen Sulphide

Dissociative Electron Attachment to Polyatomic Molecules - III : Ammonia

In this paper, we discuss the dissociative electron attachment process in Ammonia. Kinetic energy and angular distributions of H^{-} and NH_{2}^{-} fragment anions across the two well known resonances at 5.5 eV and 10.5 eV are reported. The angular distributions show deviation of axial recoil approximation akin to that observed in water.

Dissociative Electron Attachment to Polyatomic Molecules - IV : Methane

In this paper, we discuss the dissociative electron attachment process in Methane. Kinetic energy and angular distributions of H^{-} and CH_{2}^{-} fragment anions across the broad resonance about 10 eV is reported. Angular distribution of H^{-} ions changes from being perpendicular to forward-backward scattering across the resonance. Possibility of Jahn-Teller effect on excitation of the triply degenerate 1t2 molecular orbital is inferred.

Dissociative Electron Attachment to Polyatomic Molecules - V : Formic Acid and Propyl Amine

In this paper, we discuss the dissociative electron attachment process in Formic Acid and Propyl Amine. These are molecules containing more than one functional group and have low symmetry (Cs group). We measured the kinetic energy and angular distributions of fragment H^{-} ions from the resonances observed in these molecules and compared with that in the precursor molecules, namely - Water, Ammonia and Methane. Measurements suggest that the dissociation dynamics in bigger molecules are independent of overall symmetry of the molecule, rather depend only on the local symmetry of functional grou…

Dissociative Electron Attachment to Polyatomic Molecules - I : Water

Using the velocity map imaging technique, we studied and characterized the process of Dissociative Electron Attachment (DEA) in polyatomic molecules like Water, Hydrogen Sulphide, Ammonia, Methane, Formic Acid and Propyl Amine. We present the details of these studies in a series of 5 articles. In the first article here, we discuss the DEA process in gas phase water ($H_{2}O$ and $D_{2}O$) molecules. Electrons of 6.5 eV, 8.5 eV and 12 eV are captured by water molecules in neutral ground state to form $H_{2}O^{-*}$ ($D_{2}O^{-*}$) resonant states which dissociate into an anion fragment and one o…

脂肪族硫醇的解离电子附着动力学

Dynamics of Dissociative Electron Attachment to Aliphatic Thiols

该研究针对硫醇官能团DEA过程研究不足的问题，测量了简单脂肪族硫醇DEA过程的阴离子碎片绝对截面与动量成像，对比相关分子动力学特征，揭示了反应动力学的相似性与普适性，并明确了相关离子通道的反应路径。

Subsystem constraints in variational second order density matrix optimization: curing the dissociative behavior

A previous study of diatomic molecules revealed that variational second-order density matrix theory has serious problems in the dissociation limit when the N-representability is imposed at the level of the usual two-index (P, Q, G) or even three-index (T1, T2) conditions [H. van Aggelen et al., Phys. Chem. Chem. Phys. 11, 5558 (2009)]. Heteronuclear molecules tend to dissociate into fractionally charged atoms. In this paper we introduce a general class of N-representability conditions, called subsystem constraints, and show that they cure the dissociation problem at little additional computati…