Resonant Circular Dichroism of Chiral Metal-Organic Complex

被引：45

作者：

Catone, D. ^{[2
]}

Stener, M. ^{[1
,3
,4
]}

Decleva, P. ^{[1
,3
,4
]}

Contini, G. ^{[2
]}

Zema, N. ^{[2
]}

Prosperi, T. ^{[2
]}

Feyer, V. ^{[5
]}

Prince, K. C. ^{[5
,6
]}

Turchini, S. ^{[2
]}

机构：

[1] Univ Trieste, Dipartimento Sci Chim & Farmaceut, I-34127 Trieste, Italy

[2] CNR, Ist Struttura Mat, I-00133 Rome, Italy

[3] Consorzio Interuniv Nazl Sci & Tecnol Mat, INSTM, Unita Trieste, Trieste, Italy

[4] DEMOCRITOS CNR IOM Natl Simulat Ctr, Trieste, Italy

[5] Sincrotrone Trieste, I-34149 Trieste, Italy

[6] IOM CNR, I-34149 Trieste, Italy

来源：

PHYSICAL REVIEW LETTERS | 2012年 / 108卷 / 08期

关键词：

PHOTOELECTRON ANGULAR-DISTRIBUTION; VACUUM-ULTRAVIOLET; MOLECULES; PHOTOEMISSION; CO; PHOTOIONIZATION; SPECTROSCOPY; RESOLUTION; FE;

D O I：

10.1103/PhysRevLett.108.083001

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

A sizable enhancement of the circular dichroism in photoelectron spectroscopy has been measured and computed for the metal complex Delta-cobalt(III) tris-acetylacetonate highest occupied molecular orbital state in the region of the Co 3p -> 3d Fano resonance. In the resonance the dichroism reaches the maximum value of 5% and even changes its sign as compared to the direct photoionization channel. We ascribe this enhancement to electron correlation processes, namely, with the coupling between discrete excitations and the continuum, which is correctly described in the time dependent density functional theory (TDDFT) framework. These findings open new physical aspects of photoelectron circular dichroism that now can be interpreted not only via the simple direct ionization, but also through more complex electron correlation processes.

引用

页数：5

共 26 条

[1] Self-consistent molecular Hartree-Fock-Slater calculations - I. The computational procedure [J].

Baerends, E. J. ;

Ellis, D. E. ;

Ros, P. .

CHEMICAL PHYSICS, 1973, 2 (01) :41-51

[2]

Barron L. D., 2004, MOL LIGHT SCATTERING

[3] Asymmetry in photoelectron emission from chiral molecules induced by circularly polarized light [J].

Böwering, N ;

Lischke, T ;

Schmidtke, B ;

Müller, N ;

Khalil, T ;

Heinzmann, U .

PHYSICAL REVIEW LETTERS, 2001, 86 (07) :1187-1190

[4] 3P EXCITATIONS OF ATOMIC AND METALLIC FE, CO, NI AND CU [J].

BRUHN, R ;

SONNTAG, B ;

WOLFF, HW .

JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 1979, 12 (02) :203-212

[5] PHOTOELECTRON SPECTROSCOPIC STUDIES OF POLYATOMIC-MOLECULES .1. THEORY [J].

CHANDRA, N .

JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 1987, 20 (14) :3405-3415

[6] CIRCULAR-DICHROISM OF MOLECULES IN THE CONTINUOUS ABSORPTION REGION [J].

CHEREPKOV, NA .

CHEMICAL PHYSICS LETTERS, 1982, 87 (04) :344-348

[7] Vibrational state dependence of β and D asymmetry parameters:: The case of the highest occupied molecular orbital photoelectron spectrum of methyl-oxirane [J].

Contini, G. ;

Zema, N. ;

Turchini, S. ;

Catone, D. ;

Prosperi, T. ;

Carravetta, V. ;

Bolognesi, P. ;

Avaldi, L. ;

Feyer, V. .

JOURNAL OF CHEMICAL PHYSICS, 2007, 127 (12)

[8] PHOTOELECTRON-SPECTROSCOPY WITH VARIABLE PHOTON ENERGY - A STUDY OF THE METAL HEXACARBONYLS, W(CO)6, CR(CO)6, MO(CO6) [J].

COOPER, G ;

GREEN, JC ;

PAYNE, MP ;

DOBSON, BR ;

HILLIER, IH .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1987, 109 (13) :3836-3843

[9] RESONANT PHOTOEMISSION INVOLVING SUPER-COSTER-KRONIG TRANSITIONS [J].

DAVIS, LC ;

FELDKAMP, LA .

PHYSICAL REVIEW B, 1981, 23 (12) :6239-6253

[10] HIGH-FLUX AND HIGH-RESOLUTION BEAMLINE FOR ELLIPTICALLY POLARIZED RADIATION IN THE VACUUM-ULTRAVIOLET AND SOFT-X-RAY REGIONS [J].

DEROSSI, A ;

LAMA, F ;

PIACENTINI, M ;

PROSPERI, T ;

ZEMA, N .

REVIEW OF SCIENTIFIC INSTRUMENTS, 1995, 66 (02) :1718-1720

← 1 2 3 →