RESPONSE THEORY CALCULATIONS OF THE VIBRONICALLY INDUCED (1)A(1G)-(1)B(2U) 2-PHOTON SPECTRUM OF BENZENE

被引：31

作者：

LUO, Y

AGREN, H

KNUTS, S

MINAEV, BF

JORGENSEN, P

机构：

[1] UNIV UPPSALA, DEPT QUANTUM CHEM, S-75120 UPPSALA, SWEDEN

[2] CHERKASSY ENGN & TECHNOL INST, DEPT CHEM, 257006 CHERKASSY, UKRAINE

[3] AARHUS UNIV, DEPT CHEM, DK-8000 AARHUS, DENMARK

来源：

CHEMICAL PHYSICS LETTERS | 1993年 / 209卷 / 5-6期

关键词：

D O I：

10.1016/0009-2614(93)80126-A

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：

We perform multiconfiguration quadratic response theory calculations of vibronically induced symmetry and parity forbidden 1A1g-B-1(2u) two-photon transitions of benzene. The following order of vibronic activity is found: nu14 > nu15 > nu18 > nu19 > nu17 > nu16 > nu20. The two-photon activity is crucially dependent on the description of the carbon skeletal motion in the nu14 (b2u) mode, which gives a good illustration of the fact that two-photon spectroscopy can be used to derive information on vibronic motions and force fields. It is suggested that the so far unobserved nu19 mode should appear in a high-resolution experiment. Two-photon polarization ratios are predicted and discussed.

引用

页码：513 / 518

页数：6

共 50 条

[31] Coupled cluster study of the 1 1A1g and 1 1B2u states of benzene
Christiansen, Ove
Stanton, John F.
Gauss, Jurgen
Journal of Chemical Physics, 1998, 108 (10):
[32] QUENCHING OF (1)B(2U) (6(1)) VIBRATIONAL LEVEL OF THE BENZENE MOLECULES AT 300-K BY SEVERAL COLLIDERS
DELACRUZ, A
ORTIZ, M
CAMPOS, J
CHEMICAL PHYSICS LETTERS, 1994, 226 (5-6) : 532 - 536
[33] Joint analysis of the Cs2 a3Σu+ and 1g (33Π1g) states
Xie, F.
Li, Li
Li, D.
Sovkov, V. B.
Minaev, K. V.
Ivanov, V. S.
Lyyra, A. M.
Magnier, S.
JOURNAL OF CHEMICAL PHYSICS, 2011, 135 (02):
[34] ELECTRIC-FIELD PERTURBATION OF 1A1G-1B2U TRANSITION OF BENZENE
MATHIES, R
ALBRECHT, AC
CHEMICAL PHYSICS LETTERS, 1972, 16 (02) : 231 - +
[35] THE 3-PHOTON SPECTRUM OF THE 1-B-2-MU[-1-A-1G TRANSITION IN BENZENE - ANALYSIS OF VIBRONIC AND ROTATIONAL STRUCTURE
GRUBB, SG
OTIS, CE
HABER, KS
ALBRECHT, AC
JOURNAL OF CHEMICAL PHYSICS, 1984, 81 (12): : 5255 - 5265
[36] 方程2u/x1x1+2u/x2x2=f（u）的Bcklund变换
李沿光
应用数学和力学, 1989, (02) : 131 - 135
[37] NOTE ON ELUSIVE (E26)-E-1 STATE IN 2-PHOTON SPECTRUM OF BENZENE
VAIDA, V
ROBIN, MB
KUEBLER, NA
CHEMICAL PHYSICS LETTERS, 1978, 58 (04) : 557 - 560
[38] AB-INITIO CALCULATIONS OF THE VIBRONICALLY AVERAGED HYPERFINE COUPLING-CONSTANTS IN THE 1(2)PI(U)(X(2)B(1),A(2)A(1)) STATE OF THE WATER CATION
STAIKOVA, M
ENGELS, B
PERIC, M
PEYERIMHOFF, SD
MOLECULAR PHYSICS, 1993, 80 (06) : 1485 - 1497
[39] LINEWIDTHS AND HIGH-RESOLUTION STRUCTURE OF THE BENZENE 1B2U]-1A1G 2 PHOTON TRANSITION BY MULTI-PHOTON IONIZATION SUPERSONIC BEAM TECHNIQUES
ARON, K
OTIS, C
DEMARAY, RE
JOHNSON, P
JOURNAL OF CHEMICAL PHYSICS, 1980, 73 (09): : 4167 - 4174
[40] ULTRAVIOLET 2-PHOTON SPECTROSCOPY OF BENZENE - A NEW GERADE RYDBERG SERIES AND EVIDENCE FOR THE 1 1E2G VALENCE STATE
WHETTEN, RL
FU, KJ
GRANT, ER
JOURNAL OF CHEMICAL PHYSICS, 1983, 79 (06): : 2626 - 2640

← 1 2 3 4 5 →