Spectroscopic Investigation of the Electronic Structure of YN: The X1Σ+ Ground State and the New B1, C1 and D1 Excited Electronic States

2002 ◽  
Vol 211 (1) ◽  
pp. 86-92 ◽  
Author(s):  
Zygmunt J. Jakubek ◽  
S.G. Nakhate ◽  
Benoit Simard
Keyword(s):  
Electronic Structure ◽  
Ground State ◽  
Spectroscopic Investigation ◽  
Electronic States ◽  
Excited Electronic States

scholarly journals Ab Initio Study of Ground-state CS Photodissociation via Highly Excited Electronic States

2019 ◽  
Vol 882 (2) ◽  
pp. 86 ◽  
Author(s):  
Zhongxing Xu ◽  
Nan Luo ◽  
S. R. Federman ◽  
William M. Jackson ◽  
Cheuk-Yiu Ng ◽  
...  
Keyword(s):  
Ab Initio ◽  
Ground State ◽  
Electronic States ◽  
Ab Initio Study ◽  
Excited Electronic States

Controlled intramolecular H-transfer in malonaldehyde in the electronic ground state mediated through the conical intersection of 1nπ* and 1ππ* excited electronic states

2019 ◽  
Vol 21 (36) ◽  
pp. 20018-20030 ◽  
Author(s):  
K. R. Nandipati ◽  
Arun Kumar Kanakati ◽  
H. Singh ◽  
S. Mahapatra
Keyword(s):  
Ground State ◽  
Electronic States ◽  
Laser Pulses ◽  
Electronic Ground State ◽  
Conical Intersection ◽  
Uv Laser ◽  
Excited Electronic States ◽  
Electronic Ground

We report photo-isomerization of malonaldehyde in its electronic ground state (S0), mediated by coupled 1nπ*(S1)–1ππ*(S2) excited electronic states, accomplished with the aid of optimally designed ultraviolet (UV)-laser pulses.

The absorption spectrum of liquid bromine

1937 ◽  
Vol 162 (910) ◽  
pp. 414-419 ◽  
Author(s):  
D. Porret ◽  
Frederick George Donnan
Keyword(s):  
Absorption Spectrum ◽  
Absorption Spectra ◽  
Ground State ◽  
Wave Length ◽  
Electronic States ◽  
Excited Electronic States ◽  
Long Wave ◽  
Liquid Bromine ◽  
Continuous Absorption ◽  
The Continuum

The continuous absorption spectra of gaseous bromine (Peskow 1917; Ribaud 1919; Gray and Style 1929; Acton, Aikin and Bayliss 1936) and of dissolved bromine (Bovis 1929; Gillam and Morton 1929) have been studied many times. They present a wide continuum (from about 30, 000 to 17, 000 cm. -1 .) with a maximum at 24, 000 cm. -1 . For the gas the continuum is preceded by two band systems on the long wave-length side. These systems converge at 19, 585 and 15, 896 cm. -1 . respectively. Acton, Aikin and Bayliss (1936) have shown that the continuum is not simple, and Mulliken (1936) and Darbyshire (1937) have pointed out that there are three overlapping continua corresponding to transitions from the ground state to three different excited electronic states. There are 3 II 0 + ← 1 Σ g , 3 II 1 ← 1 Σ g and 1 II ← 1 Σ g . The absorption spectrum of liquid bromine has been studied by Bovis (1929) form 18, 525 to 31, 750c cm. -1 . and by Camichel (1893) for two frequencies only (16, 978 and 18, 691 cm. -1 ).

Transition-metal solvated-electron precursors: diffuse and 3d electrons in V(NH3)0,±6

2019 ◽  
Vol 21 (13) ◽  
pp. 7090-7097 ◽  
Author(s):  
Nuno M. S. Almeida ◽  
Filip Pawłowski ◽  
Joseph Vincent Ortiz ◽  
Evangelos Miliordos
Keyword(s):  
Electronic Structure ◽  
Transition Metal ◽  
Ab Initio ◽  
Electronic States ◽  
Electronic Structure Theory ◽  
Structure Theory ◽  
Solvated Electron ◽  
Excited Electronic States

Ground and excited electronic states of V(NH3)0,±6 complexes, investigated with ab initio electronic structure theory, consist of a V(NH3)62+ core with up to three electrons distributed over its periphery.

Geometric and electronic structure analysis of calcium water complexes with one and two solvation shells

2020 ◽  
Vol 22 (39) ◽  
pp. 22426-22435 ◽  
Author(s):  
Isuru R. Ariyarathna ◽  
Evangelos Miliordos
Keyword(s):  
Electronic Structure ◽  
Structure Analysis ◽  
Electronic States ◽  
Excited Electronic States ◽  
Valence Electrons ◽  
The Stability

The stability of calcium water complexes is investigated quantum mechanically. Ground and excited electronic states are studied for hexa-, octa-, and octakaideca-coordinated complexes, where calcium valence electrons move to outer diffuse orbitals.

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