PHOTOELECTRON-SPECTRUM, IONIZATION-POTENTIAL, AND HEAT OF FORMATION OF CCL2

被引：68

作者：

KOHN, DW ^{[1
]}

ROBLES, ESJ ^{[1
]}

LOGAN, CF ^{[1
]}

CHEN, P ^{[1
]}

机构：

[1] HARVARD UNIV,MALLINCKRODT CHEM LAB,CAMBRIDGE,MA 02138

来源：

JOURNAL OF PHYSICAL CHEMISTRY | 1993年 / 97卷 / 19期

关键词：

D O I：

10.1021/j100121a012

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 photoelectron spectrum of dichlorocarbene, CCl2, is reported. Simulation of the partially resolved vibrational structure is used to extract the adiabatic ionization potential, IP(ad)[CCl2] = 9.27 +/- 0.04 eV, and the heat of formation, DELTAH-degreesf.298[CCl2] = 51.0 +/- 2.0 kcal/mol. A protocol for calculating polyatomic Franck-Condon factors is given and compared to two less general approaches.

引用

收藏

页码：4936 / 4940

页数：5

相关论文

共 38 条

[1] EMISSION-SPECTRA OF CL-C=C-CL+,BR-C=C-BR+ AND I-C=C-I+ RADICAL CATIONS - ALPHA-2PIG-]CHI-2PIU BAND SYSTEMS AND DECAY OF ALPHA-2PIG STATES [J].

ALLAN, M ;

KLOSTERJENSEN, E ;

MAIER, JP .

JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II, 1977, 73 :1417-1424

[2]

[Anonymous], 1955, MOL VIBRATIONS

[3] MASS SPECTROMETRIC STUDY OF THE SPECIES CS, SO, AND CC12 PRODUCED IN PRIMARY HETEROGENEOUS REACTIONS [J].

BLANCHARD, LP ;

LEGOFF, P .

CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE, 1957, 35 (01) :89-98

[4] PHOTOIONIZATION MASS AND PHOTOELECTRON-SPECTROSCOPY OF RADICALS, CARBENES, AND BIRADICALS [J].

BLUSH, JA ;

CLAUBERG, H ;

KOHN, DW ;

MINSEK, DW ;

XU, Z ;

CHEN, P .

ACCOUNTS OF CHEMICAL RESEARCH, 1992, 25 (09) :385-392

[5] ELECTRONIC-SPECTRUM OF ALLYL AND ALLYL-D5 RADICALS - THE B[1(2)A1][-X[1(2)A2], C[2(2)B1][-X[1(2)A2], AND D[1(2)B2][-X[1(2)A2] BAND SYSTEMS [J].

BLUSH, JA ;

MINSEK, DW ;

CHEN, P .

JOURNAL OF PHYSICAL CHEMISTRY, 1992, 96 (25) :10150-10154

[6] FRANCK-CONDON FACTORS FOR IONIZATION OF H2O AND D2O [J].

BOTTER, R ;

ROSENSTOCK, HM .

JOURNAL OF RESEARCH OF THE NATIONAL BUREAU OF STANDARDS SECTION A-PHYSICS AND CHEMISTRY, 1969, A 73 (03) :313-+

[7] EXPERIMENTAL AND THEORETICAL STUDIES OF PHOTOIONIZATION-EFFICIENCY CURVES FOR C2H2 AND C2D2 [J].

BOTTER, R ;

DIBELER, VH ;

WALKER, JA ;

ROSENSTO.HM .

JOURNAL OF CHEMICAL PHYSICS, 1966, 44 (03) :1271-&

[8]

BUNKER PR, 1979, MOL SYMMETRY SPECTRO, P137

[9] MASS AND PHOTOELECTRON-SPECTROSCOPY OF C3H2 - DELTA-HF OF SINGLET CARBENES DEVIATE FROM ADDITIVITY BY THEIR SINGLET TRIPLET GAPS [J].

CLAUBERG, H ;

MINSEK, DW ;

CHEN, P .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1992, 114 (01) :99-107

[10] GEOMETRY OF C-C3H2.+ - FRANCK-CONDON FACTORS IN PHOTOIONIZATION ARE A SENSITIVE PROBE OF POLYATOMIC ION STRUCTURE [J].

CLAUBERG, H ;

CHEN, P .

JOURNAL OF PHYSICAL CHEMISTRY, 1992, 96 (14) :5676-5678

← 1 2 3 4 →