The Experts below are selected from a list of 124320 Experts worldwide ranked by ideXlab platform
Alberto Modelli - One of the best experts on this subject based on the ideXlab platform.
-
dissociative Electron attachment to 3 benzelidenephthalide and phenolphthalein molecules
Journal of Chemical Physics, 2019Co-Authors: N L Asfandiarov, S.a. Pshenichnyuk, Alberto Modelli, R G Rakhmeev, M M Tayupov, E E Tseplin, S N TseplinaAbstract:Electron attachment to the 3-benzelidenephthalide and phenolphthalein molecules and decay channels of their molecular anions were investigated by means of dissociative Electron attachment Spectroscopy and Electron Transmission Spectroscopy. Interpretations of these experimental data were supported with UV-Spectroscopy and density functional theory calculations. The average Electron detachment times for the long-lived molecular anions of 3-benzelidenephthalide and phenolphthalein were measured to be 150 µs at 120 °C and 560 µs at 190 °C, respectively. The long-lived molecular anions of phenolphthalein are ascribed to an isomer formed by ring opening. The present results suggest that, opposite to phenolphthalein, polymeric materials based on 3-benzylidenephthalide cannot be switched to a high conductive state due to different mechanisms of stabilization of their long-lived molecular anions.
-
fragmentation of chlorpyrifos by thermal Electron attachment a likely relation to its metabolism and toxicity
Physical Chemistry Chemical Physics, 2018Co-Authors: S.a. Pshenichnyuk, Alberto Modelli, N L Asfandiarov, A S Vorobev, E P Nafikova, R.g. Rakhmeyev, Rustem V Galeev, A.s. KomolovAbstract:The energies of formation and dissociative decays of temporary negative ions of the organophosphorus insecticide chlorpyrifos (CPF) are studied using Electron Transmission Spectroscopy (ETS), dissociative Electron attachment Spectroscopy (DEAS) and quantum-chemical calculations. Three features are displayed by ETS at 2.4, 3.1 and 4.30 eV, which are ascribed to empty σ* MOs, a higher-lying π* MO and a core-excited state, respectively. Two stable π* anion states are predicted by the calculations. Most of the negative fragments are detected by DEAS at thermal energies of the incident Electrons, being thus associated with the dissociation of stable (vibrationally excited) negative ion states formed by Electron attachment into the π* LUMO and LUMO+1. The CPF− molecular anions (not observed in the present study) are expected to decay by fast dissociation to give the most abundant ([CPF – HCl]−) species, which in turn dissociates on the microsecond timescale, producing as much as six metastable peaks in the mass spectrum. The m/z = 196 and 169 negative fragments, structurally similar to the main metabolites of CPF, 3,5,6-trichloro-2-pyridinol and O,O-diethyl thiophosphate, respectively, are formed by the direct decomposition of CPF−. Active radicals able to abstract hydrogen atoms from lipid membranes are generated as neutral counterparts of the observed anion fragments. A likely involvement of DEA in the biotransformation of CPF by cytochrome P450 enzymes in a reductive environment producing toxic species and precursors of the main metabolites is briefly discussed.
-
dissociative Electron attachment to 2 4 6 trichloroanisole and 2 4 6 tribromoanisole molecules
Journal of Chemical Physics, 2017Co-Authors: N L Asfandiarov, S.a. Pshenichnyuk, S Matejcik, M V Muftakhov, P Papp, Marian Danko, Michal Lacko, J Blasko, Alberto ModelliAbstract:2,4,6-trichloroanisole and 2,4,6-tribromoanisole were investigated by means of Electron Transmission Spectroscopy and two different types of dissociative Electron attachment spectrometers. The results obtained were interpreted with the support of density functional theory calculations. The dominant dissociative decay channels of the temporary molecular negative ions lead to the formation of Cl− and Br− in the low Electron energy region. Formation of long-lived parent anions is observed at thermal Electron energies. Their relative intensity depends on the experimental time window, ∼36 μs in the case of the static magnet mass analyzer and ∼200 μs for the quadrupole mass analyzer employed. The results obtained may be useful for rapid detection of these compounds in wine and pharmaceutical industries, as well as other branches connected to the food industry, e.g., packaging.
-
Electron attachment to the phthalide molecule
Journal of Chemical Physics, 2015Co-Authors: S.a. Pshenichnyuk, N L Asfandiarov, A S Vorobev, E P Nafikova, A N Lachinov, V A Kraikin, Alberto ModelliAbstract:Phthalide, the simplest chain of conductive polymer thin film, was investigated by means of Electron Transmission Spectroscopy, Negative Ion Mass Spectrometry, and density functional theory quantum chemistry. It has been found that formation of gas-phase long-lived molecular anions of phthalide around 0.7 eV takes place through cleavage of a C–O bond of the pentacyclic ring of the parent molecular anion to give a vibrationally excited (Electronically more stable) open-ring molecular anion. The energy of the transition state for ring opening of the parent negative ion is calculated to be 0.65 eV above the neutral ground state of the molecule. The energy (2.64 eV) evaluated for the corresponding transition state in the neutral molecule is much higher, so that the process of Electron detachment from the anion must lead to a neutral molecule with its initial pentacyclic structure. The average lifetime of the molecular negative ions formed at an Electron energy of 0.75 eV and 80 °C is measured to be about 100 μs. The known switching effect of thin phthalide films could stem from the presence of a similar open/closed transition state also in the polymer.
-
ETS and DEAS studies of the reduction of xenobiotics in mitochondrial intermembrane space.
Methods in Molecular Biology, 2015Co-Authors: S.a. Pshenichnyuk, Alberto ModelliAbstract:This chapter describes the complementary experimental techniques Electron Transmission Spectroscopy (ETS) and dissociative Electron attachment Spectroscopy (DEAS), two of the most suitable means for investigating interactions between Electrons and gas-phase molecules, resonance formation of temporary molecular negative ions, and their possible decay through the dissociative Electron attachment (DEA) mechanism. The latter can be seen as the gas-phase counterpart of the transfer of a solvated Electron in solution, accompanied by dissociation of the molecular anion, referred to as dissociative Electron transfer (DET). DET takes place in vivo under reductive conditions, for instance, in the intermembrane space of mitochondria under interaction of xenobiotic molecules with Electrons "leaked" from the respiration chain. Experimental procedures supported by suitable quantum chemical calculations are described in detail and illustrated by an example of ETS/DEAS study of rhodanine which shows rich fragmentation under gas-phase resonance Electron attachment.
P D Burrow - One of the best experts on this subject based on the ideXlab platform.
-
Electron attachment to dye-sensitized solar cell components: cyanoacetic acid.
'American Chemical Society (ACS)', 2011Co-Authors: Alberto Modelli, P D BurrowAbstract:The energies of Electron attachment associated with temporary occupation of the lower-lying virtual orbitals of cyanoacetic acid (CAA), proposed as a possible component of dye-sensitized solar cells, and its derivative methyl cyanoacetate (MCA) are measured in the gas phase with Electron Transmission Spectroscopy (ETS). The corresponding orbital energies of the neutral molecule, supplied by B3LYP/6-31G(d) calculations and scaled using an empirically calibrated linear equation, are compared with the experimental vertical attachment energies (VAEs). The vertical and adiabatic Electron affinities are also evaluated at the B3LYP/6-31+G(d) level as the anion/neutral total energy difference. Dissociative Electron attachment Spectroscopy (DEAS) is used to measure the total anion current as a function of the incident Electron energy in the 0-4 eV energy range, and the negative fragments generated through the dissociative decay channels of the molecular anion are detected with a mass filter. In both compounds only two intense fragment anion currents are observed, that due to loss of a hydrogen atom from the molecular anion ([M-H]-) and to formation of CN . In CAA the former signal displays a very sharp feature at 0.68 eV, assigned to a vibrational Feshbach resonance arising from coupling between a dipole bound anion state and a temporary sigma* anion state
-
dissociative Electron attachment in nonplanar chlorocarbons with π σ coupled molecular orbitals
Journal of Chemical Physics, 2010Co-Authors: Kayvan Aflatooni, Gordon A Gallup, P D BurrowAbstract:Total absolute cross sections for the dissociative Electron attachment (DEA) process are reported for a series of nonplanar ethylenic and phenylic compounds monosubstituted with (CH2)nCl groups, where n=1–4. Coupling between the local π∗ molecular orbitals provided by the unsaturated moieties and the σ∗ (C–Cl) orbital is thus examined as a function of the separation of these groups. In particular, the coupling is viewed from the perspective of the interacting temporary negative ions formed by short lived occupation of these orbitals and their decay into the DEA channel. A theoretical treatment of “remote” bond breaking, presented elsewhere, satisfactorily accounts for DEA in the chloroethylenic compounds presented here and emphasizes not only the delocalization of the coupled anionic wave functions but the importance of their relative phases. The dependence of the cross sections on the vertical attachment energies, measured by Electron Transmission Spectroscopy, is also explored and compared to that found...
-
dissociative Electron attachment in nonplanar chlorocarbons with π σ coupled molecular orbitals
Journal of Chemical Physics, 2010Co-Authors: Kayvan Aflatooni, Gordon A Gallup, P D BurrowAbstract:Total absolute cross sections for the dissociative Electron attachment (DEA) process are reported for a series of nonplanar ethylenic and phenylic compounds monosubstituted with (CH(2))(n)Cl groups, where n=1-4. Coupling between the local pi* molecular orbitals provided by the unsaturated moieties and the sigma* (C-Cl) orbital is thus examined as a function of the separation of these groups. In particular, the coupling is viewed from the perspective of the interacting temporary negative ions formed by short lived occupation of these orbitals and their decay into the DEA channel. A theoretical treatment of "remote" bond breaking, presented elsewhere, satisfactorily accounts for DEA in the chloroethylenic compounds presented here and emphasizes not only the delocalization of the coupled anionic wave functions but the importance of their relative phases. The dependence of the cross sections on the vertical attachment energies, measured by Electron Transmission Spectroscopy, is also explored and compared to that found previously in chlorinated alkanes.
S.a. Pshenichnyuk - One of the best experts on this subject based on the ideXlab platform.
-
dissociative Electron attachment to 3 benzelidenephthalide and phenolphthalein molecules
Journal of Chemical Physics, 2019Co-Authors: N L Asfandiarov, S.a. Pshenichnyuk, Alberto Modelli, R G Rakhmeev, M M Tayupov, E E Tseplin, S N TseplinaAbstract:Electron attachment to the 3-benzelidenephthalide and phenolphthalein molecules and decay channels of their molecular anions were investigated by means of dissociative Electron attachment Spectroscopy and Electron Transmission Spectroscopy. Interpretations of these experimental data were supported with UV-Spectroscopy and density functional theory calculations. The average Electron detachment times for the long-lived molecular anions of 3-benzelidenephthalide and phenolphthalein were measured to be 150 µs at 120 °C and 560 µs at 190 °C, respectively. The long-lived molecular anions of phenolphthalein are ascribed to an isomer formed by ring opening. The present results suggest that, opposite to phenolphthalein, polymeric materials based on 3-benzylidenephthalide cannot be switched to a high conductive state due to different mechanisms of stabilization of their long-lived molecular anions.
-
Resonance Electron interaction with 5-membered heterocyclic compounds: Vibrational Feshbach resonances and hydrogen atom stripping.
'American Physical Society (APS)', 2019Co-Authors: S.a. Pshenichnyuk, I.i. Fabrikant, A. Modelli, S. PtasińAbstract:Low-energy (0-15 eV) resonance Electron attachment to a series of 5-membered heterocyclic rings (isoxazole, imidazole, pyrazole, pyrrole, 1-methyl-, and 2-methylimidazole) is studied under gas-phase conditions by means of Electron Transmission Spectroscopy (ETS) and dissociative Electron attachment Spectroscopy (DEAS). Experimental spectral features are assigned on the basis of Hartree-Fock and density functional theory (DFT) calculations. Sharp features, with a width of less than 0.1 eV, observed in the Electron Transmission spectra of imidazole, pyrazole and pyrrole close to 0.45 eV, i.e. well below the energy of their lowest-lying \u3c0* shape resonances detected at 1.90, 1.87, and 2.33 eV, respectively, are associated with formation of negative ion states bound by long-range Electron-molecule interactions. Effective range theory (ERT) calculations which include both dipolar and polarization interactions support this interpretation. In addition to the general observation of cleavage of the N\u2013H bond at incident Electron energies close to 2 eV, elimination of as many as three hydrogen atoms from the molecular negative ions is detected at higher energies by DEAS with the only exception of methylated imidazoles. This complex process is associated with ring opening and formation of diatomic hydrogen as one of the neutral fragments, as indicated by the calculations to satisfy the energetic requirements. The present results are of importance for understanding the basic mechanisms of damages caused in living tissues by high-energy radiations
-
fragmentation of chlorpyrifos by thermal Electron attachment a likely relation to its metabolism and toxicity
Physical Chemistry Chemical Physics, 2018Co-Authors: S.a. Pshenichnyuk, Alberto Modelli, N L Asfandiarov, A S Vorobev, E P Nafikova, R.g. Rakhmeyev, Rustem V Galeev, A.s. KomolovAbstract:The energies of formation and dissociative decays of temporary negative ions of the organophosphorus insecticide chlorpyrifos (CPF) are studied using Electron Transmission Spectroscopy (ETS), dissociative Electron attachment Spectroscopy (DEAS) and quantum-chemical calculations. Three features are displayed by ETS at 2.4, 3.1 and 4.30 eV, which are ascribed to empty σ* MOs, a higher-lying π* MO and a core-excited state, respectively. Two stable π* anion states are predicted by the calculations. Most of the negative fragments are detected by DEAS at thermal energies of the incident Electrons, being thus associated with the dissociation of stable (vibrationally excited) negative ion states formed by Electron attachment into the π* LUMO and LUMO+1. The CPF− molecular anions (not observed in the present study) are expected to decay by fast dissociation to give the most abundant ([CPF – HCl]−) species, which in turn dissociates on the microsecond timescale, producing as much as six metastable peaks in the mass spectrum. The m/z = 196 and 169 negative fragments, structurally similar to the main metabolites of CPF, 3,5,6-trichloro-2-pyridinol and O,O-diethyl thiophosphate, respectively, are formed by the direct decomposition of CPF−. Active radicals able to abstract hydrogen atoms from lipid membranes are generated as neutral counterparts of the observed anion fragments. A likely involvement of DEA in the biotransformation of CPF by cytochrome P450 enzymes in a reductive environment producing toxic species and precursors of the main metabolites is briefly discussed.
-
Fragmentation of chlorpyrifos by thermal Electron attachment: Likely relation to its metabolism and toxicity.
'Royal Society of Chemistry (RSC)', 2018Co-Authors: S.a. Pshenichnyuk, A. Modelli, N L Asfandiarov, E P Nafikova, A.s. Vorob\u2019ev, R.g. Rakhmeyev, R.v. Galeev And A.s. KomolovAbstract:The energies of formation and dissociative decays of temporary negative ions of the organophosphorus insecticide chlorpyrifos (CPF) are studied using Electron Transmission Spectroscopy (ETS), dissociative Electron attachment Spectroscopy (DEAS) and quantum-chemical calculations. Three features are displayed by the ETS at 2.4, 3.1 and 4.30 eV, ascribed to empty \uf073* MOs, an higher-lying \u3c0* MO and a core-excited state, respectively. Two stable \uf070* anion states are predicted by the calculations. Most of the negative fragments are detected by DEAS at thermal energies of the incident Electrons, being thus associated with dissociation of stable (vibrationally excited) negative ion states formed by Electron attachment into the \u3c0* LUMO and LUMO+1. The CPF\u2013 molecular anions (not observed in the present study) are expected to decay by fast dissociation to give the most abundant ([CPF \u2013 HCl]\u2013) species, which in turn dissociates on the microseconds time scale producing as much as six metastable peaks in the mass spectrum. The m/z = 196 and 169 negative fragments, structurally similar to the main metabolites of CPF, 3,5,6-trichloro-2-pyridinol and O,O-diethyl thiophosphate, respectively, are formed by direct decomposition of CPF\u2013. Active radicals able to abstract hydrogen atoms from lipid membranes are generated as neutral counterparts of the observed anion fragments. A likely involvement of DEA into biotransformation of CPF by cytochrome P450 enzymes in a reductive environment producing toxic species and precursors of the main metabolites is briefly discussed
-
dissociative Electron attachment to 2 4 6 trichloroanisole and 2 4 6 tribromoanisole molecules
Journal of Chemical Physics, 2017Co-Authors: N L Asfandiarov, S.a. Pshenichnyuk, S Matejcik, M V Muftakhov, P Papp, Marian Danko, Michal Lacko, J Blasko, Alberto ModelliAbstract:2,4,6-trichloroanisole and 2,4,6-tribromoanisole were investigated by means of Electron Transmission Spectroscopy and two different types of dissociative Electron attachment spectrometers. The results obtained were interpreted with the support of density functional theory calculations. The dominant dissociative decay channels of the temporary molecular negative ions lead to the formation of Cl− and Br− in the low Electron energy region. Formation of long-lived parent anions is observed at thermal Electron energies. Their relative intensity depends on the experimental time window, ∼36 μs in the case of the static magnet mass analyzer and ∼200 μs for the quadrupole mass analyzer employed. The results obtained may be useful for rapid detection of these compounds in wine and pharmaceutical industries, as well as other branches connected to the food industry, e.g., packaging.
N L Asfandiarov - One of the best experts on this subject based on the ideXlab platform.
-
dissociative Electron attachment to 3 benzelidenephthalide and phenolphthalein molecules
Journal of Chemical Physics, 2019Co-Authors: N L Asfandiarov, S.a. Pshenichnyuk, Alberto Modelli, R G Rakhmeev, M M Tayupov, E E Tseplin, S N TseplinaAbstract:Electron attachment to the 3-benzelidenephthalide and phenolphthalein molecules and decay channels of their molecular anions were investigated by means of dissociative Electron attachment Spectroscopy and Electron Transmission Spectroscopy. Interpretations of these experimental data were supported with UV-Spectroscopy and density functional theory calculations. The average Electron detachment times for the long-lived molecular anions of 3-benzelidenephthalide and phenolphthalein were measured to be 150 µs at 120 °C and 560 µs at 190 °C, respectively. The long-lived molecular anions of phenolphthalein are ascribed to an isomer formed by ring opening. The present results suggest that, opposite to phenolphthalein, polymeric materials based on 3-benzylidenephthalide cannot be switched to a high conductive state due to different mechanisms of stabilization of their long-lived molecular anions.
-
fragmentation of chlorpyrifos by thermal Electron attachment a likely relation to its metabolism and toxicity
Physical Chemistry Chemical Physics, 2018Co-Authors: S.a. Pshenichnyuk, Alberto Modelli, N L Asfandiarov, A S Vorobev, E P Nafikova, R.g. Rakhmeyev, Rustem V Galeev, A.s. KomolovAbstract:The energies of formation and dissociative decays of temporary negative ions of the organophosphorus insecticide chlorpyrifos (CPF) are studied using Electron Transmission Spectroscopy (ETS), dissociative Electron attachment Spectroscopy (DEAS) and quantum-chemical calculations. Three features are displayed by ETS at 2.4, 3.1 and 4.30 eV, which are ascribed to empty σ* MOs, a higher-lying π* MO and a core-excited state, respectively. Two stable π* anion states are predicted by the calculations. Most of the negative fragments are detected by DEAS at thermal energies of the incident Electrons, being thus associated with the dissociation of stable (vibrationally excited) negative ion states formed by Electron attachment into the π* LUMO and LUMO+1. The CPF− molecular anions (not observed in the present study) are expected to decay by fast dissociation to give the most abundant ([CPF – HCl]−) species, which in turn dissociates on the microsecond timescale, producing as much as six metastable peaks in the mass spectrum. The m/z = 196 and 169 negative fragments, structurally similar to the main metabolites of CPF, 3,5,6-trichloro-2-pyridinol and O,O-diethyl thiophosphate, respectively, are formed by the direct decomposition of CPF−. Active radicals able to abstract hydrogen atoms from lipid membranes are generated as neutral counterparts of the observed anion fragments. A likely involvement of DEA in the biotransformation of CPF by cytochrome P450 enzymes in a reductive environment producing toxic species and precursors of the main metabolites is briefly discussed.
-
Fragmentation of chlorpyrifos by thermal Electron attachment: Likely relation to its metabolism and toxicity.
'Royal Society of Chemistry (RSC)', 2018Co-Authors: S.a. Pshenichnyuk, A. Modelli, N L Asfandiarov, E P Nafikova, A.s. Vorob\u2019ev, R.g. Rakhmeyev, R.v. Galeev And A.s. KomolovAbstract:The energies of formation and dissociative decays of temporary negative ions of the organophosphorus insecticide chlorpyrifos (CPF) are studied using Electron Transmission Spectroscopy (ETS), dissociative Electron attachment Spectroscopy (DEAS) and quantum-chemical calculations. Three features are displayed by the ETS at 2.4, 3.1 and 4.30 eV, ascribed to empty \uf073* MOs, an higher-lying \u3c0* MO and a core-excited state, respectively. Two stable \uf070* anion states are predicted by the calculations. Most of the negative fragments are detected by DEAS at thermal energies of the incident Electrons, being thus associated with dissociation of stable (vibrationally excited) negative ion states formed by Electron attachment into the \u3c0* LUMO and LUMO+1. The CPF\u2013 molecular anions (not observed in the present study) are expected to decay by fast dissociation to give the most abundant ([CPF \u2013 HCl]\u2013) species, which in turn dissociates on the microseconds time scale producing as much as six metastable peaks in the mass spectrum. The m/z = 196 and 169 negative fragments, structurally similar to the main metabolites of CPF, 3,5,6-trichloro-2-pyridinol and O,O-diethyl thiophosphate, respectively, are formed by direct decomposition of CPF\u2013. Active radicals able to abstract hydrogen atoms from lipid membranes are generated as neutral counterparts of the observed anion fragments. A likely involvement of DEA into biotransformation of CPF by cytochrome P450 enzymes in a reductive environment producing toxic species and precursors of the main metabolites is briefly discussed
-
dissociative Electron attachment to 2 4 6 trichloroanisole and 2 4 6 tribromoanisole molecules
Journal of Chemical Physics, 2017Co-Authors: N L Asfandiarov, S.a. Pshenichnyuk, S Matejcik, M V Muftakhov, P Papp, Marian Danko, Michal Lacko, J Blasko, Alberto ModelliAbstract:2,4,6-trichloroanisole and 2,4,6-tribromoanisole were investigated by means of Electron Transmission Spectroscopy and two different types of dissociative Electron attachment spectrometers. The results obtained were interpreted with the support of density functional theory calculations. The dominant dissociative decay channels of the temporary molecular negative ions lead to the formation of Cl− and Br− in the low Electron energy region. Formation of long-lived parent anions is observed at thermal Electron energies. Their relative intensity depends on the experimental time window, ∼36 μs in the case of the static magnet mass analyzer and ∼200 μs for the quadrupole mass analyzer employed. The results obtained may be useful for rapid detection of these compounds in wine and pharmaceutical industries, as well as other branches connected to the food industry, e.g., packaging.
-
Electron attachment to the phthalide molecule
Journal of Chemical Physics, 2015Co-Authors: S.a. Pshenichnyuk, N L Asfandiarov, A S Vorobev, E P Nafikova, A N Lachinov, V A Kraikin, Alberto ModelliAbstract:Phthalide, the simplest chain of conductive polymer thin film, was investigated by means of Electron Transmission Spectroscopy, Negative Ion Mass Spectrometry, and density functional theory quantum chemistry. It has been found that formation of gas-phase long-lived molecular anions of phthalide around 0.7 eV takes place through cleavage of a C–O bond of the pentacyclic ring of the parent molecular anion to give a vibrationally excited (Electronically more stable) open-ring molecular anion. The energy of the transition state for ring opening of the parent negative ion is calculated to be 0.65 eV above the neutral ground state of the molecule. The energy (2.64 eV) evaluated for the corresponding transition state in the neutral molecule is much higher, so that the process of Electron detachment from the anion must lead to a neutral molecule with its initial pentacyclic structure. The average lifetime of the molecular negative ions formed at an Electron energy of 0.75 eV and 80 °C is measured to be about 100 μs. The known switching effect of thin phthalide films could stem from the presence of a similar open/closed transition state also in the polymer.
Paul Burrow - One of the best experts on this subject based on the ideXlab platform.
-
Electron attachment to dye-sensitized solar cell components: cyanoacetic acid.
The journal of physical chemistry. A, 2011Co-Authors: Alberto Modelli, Paul BurrowAbstract:The energies of Electron attachment associated with temporary occupation of the lower-lying virtual orbitals of cyanoacetic acid (CAA), proposed as a possible component of dye-sensitized solar cells, and its derivative methyl cyanoacetate (MCA) are measured in the gas phase with Electron Transmission Spectroscopy (ETS). The corresponding orbital energies of the neutral molecule, supplied by B3LYP/6-31G(d) calculations and scaled using an empirically calibrated linear equation, are compared with the experimental vertical attachment energies (VAEs). The vertical and adiabatic Electron affinities are also evaluated at the B3LYP/6-31+G(d) level as the anion/neutral total energy difference. Dissociative Electron attachment Spectroscopy (DEAS) is used to measure the total anion current as a function of the incident Electron energy in the 0-4 eV energy range, and the negative fragments generated through the dissociative decay channels of the molecular anion are detected with a mass filter. In both compounds only two intense fragment anion currents are observed, that due to loss of a hydrogen atom from the molecular anion ([M - H](-)) and that due to formation of CN(-). In CAA the former signal displays a very sharp feature at 0.68 eV, assigned to a vibrational Feshbach resonance arising from coupling between a dipole bound anion state and a temporary σ* anion state.