THE ALLENE DICATION - CALCULATED AND MEASURED TRIPLET ELECTRONIC-STATE ENERGIES

被引：18

作者：

ANDREWS, SR

PARRY, DE

VAIRAMANI, M

HARRIS, FM

机构：

[1] UNIV COLL SWANSEA,MASS SPECTROMETRY RES UNIT,SINGLETON PK,SWANSEA SA2 8PP,W GLAM,WALES

[2] UNIV COLL SWANSEA,DEPT CHEM,SWANSEA SA2 8PP,W GLAM,WALES

[3] INDIAN INST CHEM TECHNOL,HYDERABAD 500007,INDIA

来源：

JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS | 1992年 / 88卷 / 23期

关键词：

D O I：

10.1039/ft9928803403

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：

Vertical double-ionization energies of allene to various triplet states of the dication have been measured and calculated. Double-charge-transfer spectrometry was used in the experimental part of the investigation. By using OH+ and F+ projectile ions, triplet states of the dication were populated because of the spin-conversation rule. The separations in the triplet-state energies were calculated using a modified MSXalpha method and found to be in accurate agreement with those measured.

引用

页码：3403 / 3407

页数：5

共 36 条

[1] PREDICTION OF THE ELECTRONIC-ENERGY LEVELS OF DOUBLY CHARGED POSITIVE MOLECULAR-IONS WITH THE AID OF THE MULTIPLE-SCATTERING X-ALPHA METHOD [J].

ANDREWS, SR ;

PARRY, DE .

CHEMICAL PHYSICS LETTERS, 1992, 196 (06) :630-635

[2]

ANDREWS SR, IN PRESS CHEM PHYS

[3]

APPELL J, 1978, COLLISION SPECTROSCO, P244

[4] PHOTOELECTRON SPECTRA OF ALLENE AND KETEN - JAHN-TELLER DISTORTION IN IONISATION OF ALLENE [J].

BAKER, C ;

TURNER, DW .

JOURNAL OF THE CHEMICAL SOCIETY D-CHEMICAL COMMUNICATIONS, 1969, (09) :480-&

[5] VALENCE IONIZATION ENERGIES OF HYDROCARBONS [J].

BIERI, G ;

BURGER, F ;

HEILBRONNER, E ;

MAIER, JP .

HELVETICA CHIMICA ACTA, 1977, 60 (07) :2213-2233

[6]

BREHM B, 1984, INT J MASS SPECTROM, V58, P91

[7]

Brogli F., 1973, Journal of Electron Spectroscopy and Related Phenomena, V2, P455, DOI 10.1016/0368-2048(73)80060-X

[8]

CARRUPT PA, 1985, ADV MASS SPECTROM, P775

[9]

COOK M, XASW QCPE465 IND U Q

[10]

Dunning Jr TH, 1977, MODERN THEORETICAL C, V3, P1

← 1 2 3 4 →