AN ABINITIO CALCULATION OF V1 AND V3 FOR TRIPLET METHYLENE (X3B1CH2) AND THE DETERMINATION OF THE VIBRATIONLESS SINGLET-TRIPLET SPLITTING TE(A1A1)

被引：50

作者：

MCLEAN, AD

BUNKER, PR

ESCRIBANO, RM

JENSEN, P

机构：

[1] NATL RES COUNCIL CANADA,HERZBERG INST ASTROPHYS,OTTAWA K1A 0R6,ONTARIO,CANADA

[2] UNIV GIESSEN,INST PHYS CHEM,D-6300 GIESSEN,FED REP GER

来源：

JOURNAL OF CHEMICAL PHYSICS | 1987年 / 87卷 / 04期

关键词：

D O I：

10.1063/1.453141

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：

引用

页码：2166 / 2169

页数：4

共 12 条

[1] THE SINGLET TRIPLET ENERGY SEPARATION IN SILYLENE [J].

BALASUBRAMANIAN, K ;

MCLEAN, AD .

JOURNAL OF CHEMICAL PHYSICS, 1986, 85 (09) :5117-5119

[2]

BAUSCHLICHER CW, IN PRESS J CHEM PHYS

[3] ABINITIO ROTATION VIBRATION TRANSITION MOMENTS FOR CH2 IN THE X3B1 AND A1A1 ELECTRONIC STATES [J].

BUNKER, PR ;

LANGHOFF, SR .

JOURNAL OF MOLECULAR SPECTROSCOPY, 1983, 102 (01) :204-211

[4] THE POTENTIAL SURFACE OF X3B1 METHYLENE (CH2) AND THE SINGLET-TRIPLET SPLITTING [J].

BUNKER, PR ;

JENSEN, P ;

KRAEMER, WP ;

BEARDSWORTH, R .

JOURNAL OF CHEMICAL PHYSICS, 1986, 85 (07) :3724-3731

[5]

CARTER S, 1986, COMPUT PHYS REP, V5, P115, DOI 10.1016/0167-7977(86)90006-7

[6] LASER-INDUCED FLUORESCENCE-SPECTRUM OF SINGLET METHYLENE - SPECTROSCOPY OF A - 1-A1 STATE [J].

FELDMANN, D ;

MEIER, K ;

SCHMIEDL, R ;

WELGE, KH .

CHEMICAL PHYSICS LETTERS, 1978, 60 (01) :30-35

[7] SPECTRUM AND STRUCTURE OF SINGLET CH2 [J].

HERZBERG, G ;

JOHNS, JWC .

PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1966, 295 (1441) :107-&

[8] THE NONRIGID BENDER HAMILTONIAN USING AN ALTERNATIVE PERTURBATION TECHNIQUE [J].

JENSEN, P ;

BUNKER, PR .

JOURNAL OF MOLECULAR SPECTROSCOPY, 1986, 118 (01) :18-39

[9] THE NV-2 FUNDAMENTAL-BAND OF TRIPLET CH2 [J].

MARSHALL, MD ;

MCKELLAR, ARW .

JOURNAL OF CHEMICAL PHYSICS, 1986, 85 (07) :3716-3723

[10] DETECTION OF THE NU-2 BANDS OF CD2 AND CH2 BY INFRARED DIODE-LASER SPECTROSCOPY [J].

MCKELLAR, ARW ;

YAMADA, C ;

HIROTA, E .

JOURNAL OF CHEMICAL PHYSICS, 1983, 79 (03) :1220-1223

← 1 2 →