Multiple photofragmentation pathways with different recoil anisotropy from a metal-ion-ligand complex

Fuminori Misaizu, Ari Furuya, Hironori Tsunoyama, Koichi Ohno

Research output: Contribution to journalArticle

9 Citations (Scopus)

Abstract

Spatial recoil anisotropy for a metal-ion-ligand complex after a single photoexcitation process of Mg+ -ICH3 by linearly polarized light was investigated. A density functional theory (DFT) was applied for a geometry optimization. Natural population analysis and configuration interaction singles (CIS) calculations were performed for estimating the charge distribution in the parent ion and the excitation energies from the ground state. It was found that the fragment ions were formed along dissociative potential surfaces which were crossed by the initially excited states, in a much faster process than the rotational period of the complex.

Original languageEnglish
JournalPhysical Review Letters
Volume93
Issue number19
DOIs
Publication statusPublished - 2004 Nov 5
Externally publishedYes

Fingerprint

metal ions
ligands
anisotropy
photoexcitation
charge distribution
polarized light
configuration interaction
excitation
ions
estimating
fragments
density functional theory
optimization
ground state
geometry
interactions
energy

ASJC Scopus subject areas

  • Physics and Astronomy(all)

Cite this

Multiple photofragmentation pathways with different recoil anisotropy from a metal-ion-ligand complex. / Misaizu, Fuminori; Furuya, Ari; Tsunoyama, Hironori; Ohno, Koichi.

In: Physical Review Letters, Vol. 93, No. 19, 05.11.2004.

Research output: Contribution to journalArticle

@article{1414456ad92c48218cf6e3043964be06,
title = "Multiple photofragmentation pathways with different recoil anisotropy from a metal-ion-ligand complex",
abstract = "Spatial recoil anisotropy for a metal-ion-ligand complex after a single photoexcitation process of Mg+ -ICH3 by linearly polarized light was investigated. A density functional theory (DFT) was applied for a geometry optimization. Natural population analysis and configuration interaction singles (CIS) calculations were performed for estimating the charge distribution in the parent ion and the excitation energies from the ground state. It was found that the fragment ions were formed along dissociative potential surfaces which were crossed by the initially excited states, in a much faster process than the rotational period of the complex.",
author = "Fuminori Misaizu and Ari Furuya and Hironori Tsunoyama and Koichi Ohno",
year = "2004",
month = "11",
day = "5",
doi = "10.1103/PhysRevLett.93.193401",
language = "English",
volume = "93",
journal = "Physical Review Letters",
issn = "0031-9007",
publisher = "American Physical Society",
number = "19",

}

TY - JOUR

T1 - Multiple photofragmentation pathways with different recoil anisotropy from a metal-ion-ligand complex

AU - Misaizu, Fuminori

AU - Furuya, Ari

AU - Tsunoyama, Hironori

AU - Ohno, Koichi

PY - 2004/11/5

Y1 - 2004/11/5

N2 - Spatial recoil anisotropy for a metal-ion-ligand complex after a single photoexcitation process of Mg+ -ICH3 by linearly polarized light was investigated. A density functional theory (DFT) was applied for a geometry optimization. Natural population analysis and configuration interaction singles (CIS) calculations were performed for estimating the charge distribution in the parent ion and the excitation energies from the ground state. It was found that the fragment ions were formed along dissociative potential surfaces which were crossed by the initially excited states, in a much faster process than the rotational period of the complex.

AB - Spatial recoil anisotropy for a metal-ion-ligand complex after a single photoexcitation process of Mg+ -ICH3 by linearly polarized light was investigated. A density functional theory (DFT) was applied for a geometry optimization. Natural population analysis and configuration interaction singles (CIS) calculations were performed for estimating the charge distribution in the parent ion and the excitation energies from the ground state. It was found that the fragment ions were formed along dissociative potential surfaces which were crossed by the initially excited states, in a much faster process than the rotational period of the complex.

UR - http://www.scopus.com/inward/record.url?scp=19744371871&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=19744371871&partnerID=8YFLogxK

U2 - 10.1103/PhysRevLett.93.193401

DO - 10.1103/PhysRevLett.93.193401

M3 - Article

C2 - 15600832

AN - SCOPUS:19744371871

VL - 93

JO - Physical Review Letters

JF - Physical Review Letters

SN - 0031-9007

IS - 19

ER -