Infrared photodissociation spectroscopy of V+(H2O)n (n = 2-8): Coordinative saturation of V+ with four H2O molecules

Jun Sasaki, Kazuhiko Ohashi, Kazuya Inoue, Toshitaka Imamura, Ken Judai, Nobuyuki Nishi, Hiroshi Sekiya

研究成果: ジャーナルへの寄稿記事

13 引用 (Scopus)

抄録

The V+(H2O)n ions with n = 2-8 are studied by infrared (IR) photodissociation spectroscopy. The IR spectra indicate that H2O molecules are allowed to bind directly to V+ until the completion of a 4-coordinated structure and additional molecules are forced to occupy outer solvation shells. Density functional theory calculations suggest that one empty orbital in V+ (3d4) before coordination can be identified with the 3 dx2 - y2 orbital, which provides four sites of lower electron density along the x and y axes. This results in a strong interaction with only four H2O molecules, and thus, a stable square-planar V+(H2O)4 complex.

元の言語英語
ページ(範囲)36-40
ページ数5
ジャーナルChemical Physics Letters
474
発行部数1-3
DOI
出版物ステータス出版済み - 5 25 2009

Fingerprint

Photodissociation
photodissociation
Spectroscopy
Infrared radiation
saturation
Molecules
spectroscopy
molecules
orbitals
Solvation
Density functional theory
Carrier concentration
solvation
infrared spectra
Ions
density functional theory
ions

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

これを引用

Infrared photodissociation spectroscopy of V+(H2O)n (n = 2-8) : Coordinative saturation of V+ with four H2O molecules. / Sasaki, Jun; Ohashi, Kazuhiko; Inoue, Kazuya; Imamura, Toshitaka; Judai, Ken; Nishi, Nobuyuki; Sekiya, Hiroshi.

:: Chemical Physics Letters, 巻 474, 番号 1-3, 25.05.2009, p. 36-40.

研究成果: ジャーナルへの寄稿記事

Sasaki, Jun ; Ohashi, Kazuhiko ; Inoue, Kazuya ; Imamura, Toshitaka ; Judai, Ken ; Nishi, Nobuyuki ; Sekiya, Hiroshi. / Infrared photodissociation spectroscopy of V+(H2O)n (n = 2-8) : Coordinative saturation of V+ with four H2O molecules. :: Chemical Physics Letters. 2009 ; 巻 474, 番号 1-3. pp. 36-40.
@article{b5cb3a535777428ab1f416c291917555,
title = "Infrared photodissociation spectroscopy of V+(H2O)n (n = 2-8): Coordinative saturation of V+ with four H2O molecules",
abstract = "The V+(H2O)n ions with n = 2-8 are studied by infrared (IR) photodissociation spectroscopy. The IR spectra indicate that H2O molecules are allowed to bind directly to V+ until the completion of a 4-coordinated structure and additional molecules are forced to occupy outer solvation shells. Density functional theory calculations suggest that one empty orbital in V+ (3d4) before coordination can be identified with the 3 dx2 - y2 orbital, which provides four sites of lower electron density along the x and y axes. This results in a strong interaction with only four H2O molecules, and thus, a stable square-planar V+(H2O)4 complex.",
author = "Jun Sasaki and Kazuhiko Ohashi and Kazuya Inoue and Toshitaka Imamura and Ken Judai and Nobuyuki Nishi and Hiroshi Sekiya",
year = "2009",
month = "5",
day = "25",
doi = "10.1016/j.cplett.2009.04.029",
language = "English",
volume = "474",
pages = "36--40",
journal = "Chemical Physics Letters",
issn = "0009-2614",
publisher = "Elsevier",
number = "1-3",

}

TY - JOUR

T1 - Infrared photodissociation spectroscopy of V+(H2O)n (n = 2-8)

T2 - Coordinative saturation of V+ with four H2O molecules

AU - Sasaki, Jun

AU - Ohashi, Kazuhiko

AU - Inoue, Kazuya

AU - Imamura, Toshitaka

AU - Judai, Ken

AU - Nishi, Nobuyuki

AU - Sekiya, Hiroshi

PY - 2009/5/25

Y1 - 2009/5/25

N2 - The V+(H2O)n ions with n = 2-8 are studied by infrared (IR) photodissociation spectroscopy. The IR spectra indicate that H2O molecules are allowed to bind directly to V+ until the completion of a 4-coordinated structure and additional molecules are forced to occupy outer solvation shells. Density functional theory calculations suggest that one empty orbital in V+ (3d4) before coordination can be identified with the 3 dx2 - y2 orbital, which provides four sites of lower electron density along the x and y axes. This results in a strong interaction with only four H2O molecules, and thus, a stable square-planar V+(H2O)4 complex.

AB - The V+(H2O)n ions with n = 2-8 are studied by infrared (IR) photodissociation spectroscopy. The IR spectra indicate that H2O molecules are allowed to bind directly to V+ until the completion of a 4-coordinated structure and additional molecules are forced to occupy outer solvation shells. Density functional theory calculations suggest that one empty orbital in V+ (3d4) before coordination can be identified with the 3 dx2 - y2 orbital, which provides four sites of lower electron density along the x and y axes. This results in a strong interaction with only four H2O molecules, and thus, a stable square-planar V+(H2O)4 complex.

UR - http://www.scopus.com/inward/record.url?scp=65549084756&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=65549084756&partnerID=8YFLogxK

U2 - 10.1016/j.cplett.2009.04.029

DO - 10.1016/j.cplett.2009.04.029

M3 - Article

AN - SCOPUS:65549084756

VL - 474

SP - 36

EP - 40

JO - Chemical Physics Letters

JF - Chemical Physics Letters

SN - 0009-2614

IS - 1-3

ER -