Electronic absorption spectrum of the NCS free radical

1968 ◽  
Vol 46 (23) ◽  
pp. 2619-2631 ◽  
Author(s):  
R. N. Dixon ◽  
D. A. Ramsay
Keyword(s):  
Absorption Spectrum ◽  
Free Radical ◽  
Electronic Absorption Spectrum ◽  
Electronic Absorption ◽  
Vibronic Interaction ◽  
Absorption Bands ◽  
Electronic Band ◽  
Rotational Constants ◽  
Considerable Evidence ◽  
Vibronic Interactions

Absorption bands of NCS between 3300 Å and 4000 Å have been assigned to two electronic band systems, A(2Πi) – X(2Πi) with its origin at 26 054 cm−1, and B(2Σ+) – X(2Πi) with its origin at 26 844 cm−1. Rotational analyses have been carried out for the stronger bands, yielding rotational constants B0 = 0.2036 cm−1 (A state), B0 = 0.1906 cm−1 (A state), and B0 = 0.1969 cm−1 (B state). In addition to vibronic interactions within the two 2Πi states (Renner effect) there is considerable evidence for vibronic interaction between the A(2Πi) and B(2Σ+) states.

The electronic absorption spectrum of NHD

1979 ◽  
Vol 57 (5) ◽  
pp. 761-766 ◽  
Author(s):  
D. A. Ramsay ◽  
F.D. Wayne
Keyword(s):  
Absorption Spectrum ◽  
Excited State ◽  
Electronic Absorption Spectrum ◽  
Electronic Absorption ◽  
Rotational Constants ◽  
Axis Switching

Rotational assignments are given for about 350 lines in the (0,9,0)–(0,0,0), (0,10,0)–(0,0,0), and (0,11,0)–(0,0,0) bands in the electronic absorption spectrum of NHD. The Σ and Δ sub-bands have been identified for the bands with ν2′ odd and the Π sub-band for the band with ν2′ even.Ground state rotational and spin–rotational constants have been determined. The principal constants in reciprocal centimetres are: A = 20.1162(32), B = 8.1114(16), C = 5.6681(16), εaa = −0.2324(51),εbb = −0.0373ε, εcc = −0.0019ε, where the error limits are 1σ. Term values are tabulated for both the ground and excited state levels.Several 'axis-switching' branches have been identified in agreement with the predictions of Hougen and Watson.

Spectroelectrochemical Study of some μ3-Oxo-μ-acetato Trinuclear Rhodium(III) and Iridium(III) Complexes

1995 ◽  
Vol 50 (4) ◽  
pp. 551-557 ◽  
Author(s):  
Kenta Takahashi ◽  
Keisuke Umakoshi ◽  
Akihiro Kikuchi ◽  
Yoichi Sasaki ◽  
Masato Tominaga ◽  
...  
Keyword(s):  
Absorption Spectrum ◽  
Electronic Absorption Spectrum ◽  
Absorption Spectra ◽  
Electronic Absorption ◽  
Electronic Absorption Spectra ◽  
Visible Region ◽  
Absorption Bands ◽  
Visible Absorption ◽  
The One ◽  
Species Being

New trinuclear rhodium(III) complexes, [Rh3(μ3-O)(μ-CH3COO)6(L)3]+ (L = imidazole (Him), 1-methylimidazole (Meim), and 4-methylpyridine (Mepy)) have been prepared. The Him, Meim, and Mepy complexes show reversible one-electron oxidation waves at E1/2 = +1.12, +1.12, and +1.28 V vs Ag/AgCl, respectively, in acetonitrile. Electronic absorption spectra of the one electron oxidized species of these complexes and [Rh3(μ3-O)(μ-CH3COO)6(py)3]+ (py = pyridine) (E1/2 = +1.32 V ) were obtained by spectroelectrochemical techniques. While the Rh3(III,III,III) states show no strong visible absorption, the Rh3(III,III,IV ) species give a band at ca. 700 nm (ε = 3390-5540 mol dm-3 cm-1). [Ir3(μ3-O)(μ-CH3COO)6(py)3]+ with no strong absorption in the visible region, shows two reversible one-electron oxidation waves at +0.68 and +1.86 V in acetonitrile. The electronic absorption spectrum of the one-electron oxidized species (Ir3(III,III,IV )) also shows some absorption bands (688 nm (ε, 5119), 1093 (2325) and 1400 (ca. 1800)). It is suggested that the oxidation removes an electron from the fully occupied anti-bonding orbital based on metal-dπ-μ3-O-pπ interactions, the absorption bands of the (III,III,IV ) species being assigned to transitions to the anti-bonding orbital.

The electronic absorption spectrum of the CNO free radical in the gas phase

1983 ◽  
Vol 96 (4) ◽  
pp. 502-504 ◽  
Author(s):  
D.A. Ramsay ◽  
M. Winnewisser
Keyword(s):  
Absorption Spectrum ◽  
Free Radical ◽  
Electronic Absorption Spectrum ◽  
Gas Phase ◽  
Electronic Absorption

Ortho effects on the change in electronic absorption spectrum of pyridinium salts of saturated bromohydrocarbon

2009 ◽  
Vol 74 (5) ◽  
pp. 1084-1089 ◽  
Author(s):  
Jin-Ling Song ◽  
Li-Ming Gong ◽  
Shou-Ai Feng ◽  
Jiang-Hong Zhao ◽  
Jian-Feng Zheng ◽  
...  
Keyword(s):  
Absorption Spectrum ◽  
Electronic Absorption Spectrum ◽  
Electronic Absorption ◽  
Pyridinium Salts

The electronic spectra of phenyl radicals

1965 ◽  
Vol 287 (1411) ◽  
pp. 457-470 ◽  
Keyword(s):  
Absorption Spectrum ◽  
Electronic Absorption Spectrum ◽  
Electronic Absorption ◽  
Ground State ◽  
Electronic Spectra ◽  
Flash Photolysis ◽  
Visible Region ◽  
Electronic Configuration ◽  
Vibrational Structure ◽  
Fundamental Frequencies

An electronic absorption spectrum, attributed to phenyl, has been observed in the visible region with origin at 18 908 cm -1 after flash photolysis of benzene and halogenobenzenes. Similar spectra of fluoro, chloro and bromo phenyl are observed after flash photolysis of disubstituted benzenes. The vibrational structure of the phenyl spectrum has been analysed in terms of two fundamental frequencies at 571 and 896 cm -1 which correspond to the e 2 g and a 1 g frequencies of the B 2 u state of benzene. The ground state of phenyl has a π 6 n electronic configuration and the observed transition is interpreted as 2 A 1 → 2 B 1 resulting from a π → n excitation.

Density functional theory investigation of porphyrin diacid: electronic absorption spectrum and conformational inversion

2003 ◽  
Vol 289 (2-3) ◽  
pp. 397-407 ◽  
Author(s):  
Dong-Ming Chen ◽  
Xia Liu ◽  
Tian-Jing He ◽  
Fan-Chen Liu
Keyword(s):  
Density Functional Theory ◽  
Absorption Spectrum ◽  
Electronic Absorption Spectrum ◽  
Electronic Absorption ◽  
Density Functional ◽  
Functional Theory
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