Vibrational Structure of the High-Resolution UV Absorption Spectrum of Acetophenone in the Gas Phase

被引：1

作者：

Koroleva, L. A. ^{[1
]}

Andriasov, K. S. ^{[1
]}

Koroleva, A., V ^{[2
]}

机构：

[1] Moscow MV Lomonosov State Univ, Dept Chem, Moscow 119991, Russia

[2] Moscow MV Lomonosov State Univ, Fac Phys, Moscow 119991, Russia

来源：

RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY A | 2021年 / 95卷 / 10期

关键词：

hindered internal rotation; torsional vibration; Deslandres table; frequencies of 0-v transitions; ground (S-0) and excited (S-1) electronic states; NORMAL-COORDINATE ANALYSES; PI-ASTERISK TRANSITION; INTERNAL-ROTATION; METHACRYLOYL FLUORIDE; POTENTIAL FUNCTIONS; PROPENOYL FLUORIDE; BENZOYL FLUORIDE; BENZALDEHYDE; SYSTEM; DERIVATIVES;

D O I：

10.1134/S0036024421090090

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：

The UV absorption spectrum of acetophenone vapor is recorded in the range of 26900-28700 cm(-1) for the first time. Fifty-four absorption bands of the resolved vibrational structure of this spectrum are fully attributed, and the wavenumber of the 0-0 band is 27279.3 cm(-1). Fundamental frequencies found in the S-0 and S-1 states are v '' = 219 cm(-1) and v' = 326, 438, 728, and 1186 cm(-1). Several Deslandres tables (DTs) are constructed for the torsional vibration of the given molecule using the NONIUS software package. The DTs and the v(00) algorithm are used to determine harmonic frequencies omega(e), anharmonicity coefficients x(11), and torsional vibration frequencies of the 0-v transitions of acetophenone up to high vibrational quantum numbers of v '' = 6 in the S-0 state and v' = 2 in the S-1 states. The torsional vibration frequency is v '' = 49.2 +/- 0.4 cm(-1) in the S-0 state and v' = 96.8 +/- 0.3 cm(-1) in the S-1 state.

引用

页码：2090 / 2095

页数：6

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