scholarly journals Determination of electron affinity of phenyl radical by dissociative electron attachment technique

1993 ◽  
Vol 28 (3) ◽  
pp. 285-286 ◽  
Author(s):  
Jale Hacaloglu ◽  
Alec Gaines ◽  
Sefik Suzer
1991 ◽  
Vol 181 (4) ◽  
pp. 361-366 ◽  
Author(s):  
Alberto Modelli ◽  
Derek Jones ◽  
Giuseppe Distefano ◽  
Michel Tronc

2020 ◽  
Author(s):  
Soumi Haldar ◽  
Achintya Kumar Dutta

We have presented a multi-layer implementation of the equation of motion coupled-cluster method for the electron affinity, based on local and pair natural orbitals. The method gives consistent accuracy for both localized and delocalized anionic states. It results in many fold speedup in computational timing as compared to the canonical and DLPNO based implementation of the EA-EOM-CCSD method. We have also developed an explicit fragment-based approach which can lead to even higher speed-up with little loss in accuracy. The multi-layer method can be used to treat the environmental effect of both bonded and non-bonded nature on the electron attachment process in large molecules.<br>


2021 ◽  
Vol 4 (1) ◽  
Author(s):  
Xiao-Fei Gao ◽  
Jing-Chen Xie ◽  
Hao Li ◽  
Xin Meng ◽  
Yong Wu ◽  
...  

AbstractThe cyanide anion (CN−) has been identified in cometary coma, interstellar medium, planetary atmosphere and circumstellar envelopes, but its origin and abundance are still disputed. An isolated CN− is stabilized in the vibrational states up to ν = 17 of the electronic ground-state 1Σ+, but it is not thought to survive in the electronic or vibrational states above the electron autodetachment threshold, namely, in superexcited states. Here we report the direct observation of long-lived CN− yields of the dissociative electron attachment to cyanogen bromide (BrCN), and confirm that some of the CN− yields are distributed in the superexcited vibrational states ν ≥ 18 (1Σ+) or the superexcited electronic states 3Σ+ and 3Π. The triplet state can be accessed directly in the impulsive dissociation of BrCN− or by an intersystem transition from the superexcited vibrational states of CN−. The exceptional stability of CN− in the superexcited states profoundly influences its abundance and is potentially related to the production of other compounds in interstellar space.


1998 ◽  
Vol 102 (41) ◽  
pp. 8037-8043 ◽  
Author(s):  
Dal Colle ◽  
Giuseppe Distefano ◽  
Alberto Modelli ◽  
Derek Jones ◽  
Maurizio Guerra ◽  
...  

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