Low-lying electronic states of CH3NO2 via photoelectron imaging of the nitromethane anion

被引:30
作者
Goebbert, Daniel J. [1 ]
Pichugin, Kostyantyn [1 ]
Sanov, Andrei [1 ]
机构
[1] Univ Arizona, Dept Chem & Biochem, Tucson, AZ 85721 USA
基金
美国国家科学基金会;
关键词
ORIENTED NITROMETHANE; IMPACT EXCITATION; DYNAMICS; SPECTROSCOPY; DIPOLE; ION; PHOTODISSOCIATION; AUTODETACHMENT; DISSOCIATION; POTASSIUM;
D O I
10.1063/1.3256233
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Negative-ion photoelectron imaging at 532, 392, 355, and 266 nm is used to assign several low-lying electronic states of neutral nitromethane CH3NO2 at the geometry corresponding to the anion equilibrium. The observed neutral states include (in the order of increasing binding energy) the X (1)A' ground state, two triplet excited states, a (3)A '' and b (3)A '', and the first excited singlet state, A (1)A ''. The state assignments are aided by the analysis of the photoelectron angular distributions resulting from electron detachment from the a' and a '' symmetry molecular orbitals and the results of theoretical calculations. The singlet-triplet (X (1)A'-a (3)A '') splitting in nitromethane is determined as 2.90(+0.02)/(-0.07) eV, while the vibrational structure of the band corresponding to the formation of the a (3)A '' state of CH3NO2 is attributed to the ONO bending and NO2 wagging motions excited in the photodetachment of the anion. (C) 2009 American Institute of Physics. [doi:10.1063/1.3256233]
引用
收藏
页数:7
相关论文
共 39 条
[1]   Low-energy photoelectron imaging spectroscopy of nitromethane anions: Electron affinity, vibrational features, anisotropies, and the dipole-bound state [J].
Adams, Christopher L. ;
Schneider, Holger ;
Ervin, Kent M. ;
Weber, J. Mathias .
JOURNAL OF CHEMICAL PHYSICS, 2009, 130 (07)
[2]   Dissociative electron attachment to nitromethane [J].
Alizadeh, E. ;
da Silva, F. Ferreira ;
Zappa, F. ;
Mauracher, A. ;
Probst, M. ;
Denifl, S. ;
Bacher, A. ;
Maerk, T. D. ;
Limao-Vieira, P. ;
Scheier, P. .
INTERNATIONAL JOURNAL OF MASS SPECTROMETRY, 2008, 271 (1-3) :15-21
[3]  
[Anonymous], 2017, J MOL STRUCT, DOI DOI 10.1016/J.MOLSTRUC.2017.03.014
[4]   Role of surface crossings in the photochemistry of nitromethane -: art. no. 084324 [J].
Arenas, JF ;
Otero, JC ;
Peláez, D ;
Soto, J .
JOURNAL OF CHEMICAL PHYSICS, 2005, 122 (08)
[5]   Multiconfigurational second-order perturbation study of the decomposition of the radical anion of nitromethane [J].
Arenas, JF ;
Otero, JC ;
Peláez, D ;
Soto, J ;
Serrano-Andrés, L .
JOURNAL OF CHEMICAL PHYSICS, 2004, 121 (09) :4127-4132
[6]   The ground and excited state potential energy surfaces of nitromethane related to its dissociation dynamics after excitation at 193 nm [J].
Arenas, JF ;
Otero, JC ;
Peláez, D ;
Soto, J .
JOURNAL OF CHEMICAL PHYSICS, 2003, 119 (15) :7814-7823
[7]   Steric effects in electron transfer from potassium to π-bonded oriented molecules CH3CN, CH3NC, and CCl3CN [J].
Brooks, Philip R. ;
Harland, Peter W. ;
Harris, Sean A. ;
Kennair, Terry ;
Redden, Crystal ;
Tate, Jack F. .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2007, 129 (50) :15572-15580
[8]   Electron transfer from sodium to oriented nitromethane, CH3NO2:: Probing the spatial extent of unoccupied orbitals [J].
Brooks, PR ;
Harland, PW ;
Redden, CE .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2006, 128 (14) :4773-4778
[9]   Steric asymmetry in electron transfer from potassium atoms to oriented nitromethane (CH3NO2) molecules [J].
Brooks, PR ;
Harland, PW ;
Redden, CE .
JOURNAL OF PHYSICAL CHEMISTRY A, 2006, 110 (14) :4697-4701
[10]   THE PHOTO-DISSOCIATION OF NITROMETHANE AT 193 NM [J].
BUTLER, LJ ;
KRAJNOVICH, D ;
LEE, YT ;
ONDREY, G ;
BERSOHN, R .
JOURNAL OF CHEMICAL PHYSICS, 1983, 79 (04) :1708-1722