CHARACTERIZATION OF THE UV, VISIBLE AND NEAR-IR SPECTRA OF THE FULLERIDE ANIONS C-60(1-), C-60(2-) AND C-60(3-), AND THEORETICAL-ANALYSIS OF THE SPECTRA OF C-60(1+), C-60(0), C-60(1-), C-60(2-) AND C-60(3-) BY SELF-CONSISTENT FIELD-X-ALPHA-SCATTERED-WAVE (SCF-X-ALPHA-SW) CALCULATIONS

被引：111

作者：

HEATH, GA ^{[1
]}

MCGRADY, JE ^{[1
]}

MARTIN, RL ^{[1
]}

机构：

[1] MONASH UNIV,DEPT CHEM,CLAYTON,VIC 3168,AUSTRALIA

来源：

JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS | 1992年 / 17期

关键词：

D O I：

10.1039/c39920001272

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The spectra of the electrogenerated C60(2-), and C60(3-) ions reveal intense near-IR absorption bands similar to those observed in C60(1-); theoretical analysis of the spectra of C60z species (z = 1+, 0, 1-,2-,3-) by SCF-X-alpha-SW calculations provides an explicit interpretation of the strong bands in the UV region, and establishes the nature of the characteristic near-IR bands observed for the cationic and anionic species.

引用

页码：1272 / 1274

页数：3

共 25 条

[11] ELECTRONIC ABSORPTION-SPECTRA OF THE RADICAL-ANIONS AND CATIONS OF FULLERENES - C60 AND C70
KATO, T
KODAMA, T
SHIDA, T
NAKAGAWA, T
MATSUI, Y
SUZUKI, S
SHIROMARU, H
YAMAUCHI, K
ACHIBA, Y
[J]. CHEMICAL PHYSICS LETTERS, 1991, 180 (05) : 446 - 450
[12] ELECTRONIC-SPECTRA AND TRANSITIONS OF THE FULLERENE C-60
LEACH, S
VERVLOET, M
DESPRES, A
BREHERET, E
HARE, JP
DENNIS, TJ
KROTO, HW
TAYLOR, R
WALTON, DRM
[J]. CHEMICAL PHYSICS, 1992, 160 (03) : 451 - 466
[13] LEACH S, 1992, CHEM PHYS, P160
[14] LUTHI HP, 1987, CHEM PHYS LETT, V137, P501
[15] DETERMINATION OF OPTICAL-ABSORPTION INTENSITIES USING X-ALPHA SCATTERED WAVE METHOD
NOODLEMAN, L
[J]. JOURNAL OF CHEMICAL PHYSICS, 1976, 64 (06) : 2343 - 2349
[16] NON-EMPIRICAL VERSUS EMPIRICAL CHOICES FOR OVERLAPPING-SPHERE RADII RATIOS IN SCF-XALPHA-SW CALCULATIONS ON CLO-4(-) AND SO-2
NORMAN, JG
[J]. MOLECULAR PHYSICS, 1976, 31 (04) : 1191 - 1198
[17] COHESIVE MECHANISM AND ENERGY-BANDS OF SOLID C60
SAITO, S
OSHIYAMA, A
[J]. PHYSICAL REVIEW LETTERS, 1991, 66 (20) : 2637 - 2640
[18] OPTIMIZED STATISTICAL EXCHANGE PARAMETERS-ALPHA FOR ATOMS WITH HIGHER-Z
SCHWARZ, K
[J]. THEORETICA CHIMICA ACTA, 1974, 34 (03): : 225 - 231
[19] Slater J. C., 1972, ADV QUANTUM CHEM, V6, P1
[20] VARMA CM, 1991, SCIENCE, P990

← 1 2 3 →