Ortho-para mixing interaction in the vinyl radical detected by millimeter-wave spectroscopy

Keiichi Tanaka; Masato Hayashi; Mitsuhiko Ohtsuki; Kensuke Harada; Takehiko Tanaka

doi:10.1063/1.3231491

Ortho-para mixing interaction in the vinyl radical detected by millimeter-wave spectroscopy

Keiichi Tanaka, Masato Hayashi, Mitsuhiko Ohtsuki, Kensuke Harada, Takehiko Tanaka

Physical Chemistry

Research output: Contribution to journal › Article › peer-review

10 Citations (Scopus)

Abstract

Ortho-para mixing interaction due to the coupling of nuclear and electron spins was detected for the first time by millimeter-wave spectroscopy of the deuterated vinyl radical H₂CCD. The ground state of H₂CCD is split by the deuteron tunneling into two components 0⁺ and 0 ^- separated by ΔE₀ =1186.794(16) MHz. Rotational levels in the 0+ and 0- states, one being an ortho level and the other a para level, are coupled by the interaction expressed by 〈0 ^±|H′|0^∓〉=(δa _F/2)S ·(I₁-I₂), where I₁ and I₂ are spins of the two protons and S is the electron spin. The δa_F constant has been determined to be 68.06(52) MHz. The para to ortho conversion rate constant is predicted to be 1.2×10⁵ s^-1 torr^-1.

Original language	English
Article number	111101
Journal	Journal of Chemical Physics
Volume	131
Issue number	11
DOIs	https://doi.org/10.1063/1.3231491
Publication status	Published - 2009

All Science Journal Classification (ASJC) codes

Physics and Astronomy(all)
Physical and Theoretical Chemistry

Access to Document

10.1063/1.3231491

Cite this

@article{3dddeb286f034928a02edeea18df917b,

title = "Ortho-para mixing interaction in the vinyl radical detected by millimeter-wave spectroscopy",

abstract = "Ortho-para mixing interaction due to the coupling of nuclear and electron spins was detected for the first time by millimeter-wave spectroscopy of the deuterated vinyl radical H2CCD. The ground state of H2CCD is split by the deuteron tunneling into two components 0+ and 0 - separated by ΔE0 =1186.794(16) MHz. Rotational levels in the 0+ and 0- states, one being an ortho level and the other a para level, are coupled by the interaction expressed by 〈0 ±|H′|0∓〉=(δa F/2)S ·(I1-I2), where I1 and I2 are spins of the two protons and S is the electron spin. The δaF constant has been determined to be 68.06(52) MHz. The para to ortho conversion rate constant is predicted to be 1.2×105 s-1 torr-1.",

author = "Keiichi Tanaka and Masato Hayashi and Mitsuhiko Ohtsuki and Kensuke Harada and Takehiko Tanaka",

year = "2009",

doi = "10.1063/1.3231491",

language = "English",

volume = "131",

journal = "Journal of Chemical Physics",

issn = "0021-9606",

publisher = "American Institute of Physics Publising LLC",

number = "11",

}

TY - JOUR

T1 - Ortho-para mixing interaction in the vinyl radical detected by millimeter-wave spectroscopy

AU - Tanaka, Keiichi

AU - Hayashi, Masato

AU - Ohtsuki, Mitsuhiko

AU - Harada, Kensuke

AU - Tanaka, Takehiko

PY - 2009

Y1 - 2009

N2 - Ortho-para mixing interaction due to the coupling of nuclear and electron spins was detected for the first time by millimeter-wave spectroscopy of the deuterated vinyl radical H2CCD. The ground state of H2CCD is split by the deuteron tunneling into two components 0+ and 0 - separated by ΔE0 =1186.794(16) MHz. Rotational levels in the 0+ and 0- states, one being an ortho level and the other a para level, are coupled by the interaction expressed by 〈0 ±|H′|0∓〉=(δa F/2)S ·(I1-I2), where I1 and I2 are spins of the two protons and S is the electron spin. The δaF constant has been determined to be 68.06(52) MHz. The para to ortho conversion rate constant is predicted to be 1.2×105 s-1 torr-1.

AB - Ortho-para mixing interaction due to the coupling of nuclear and electron spins was detected for the first time by millimeter-wave spectroscopy of the deuterated vinyl radical H2CCD. The ground state of H2CCD is split by the deuteron tunneling into two components 0+ and 0 - separated by ΔE0 =1186.794(16) MHz. Rotational levels in the 0+ and 0- states, one being an ortho level and the other a para level, are coupled by the interaction expressed by 〈0 ±|H′|0∓〉=(δa F/2)S ·(I1-I2), where I1 and I2 are spins of the two protons and S is the electron spin. The δaF constant has been determined to be 68.06(52) MHz. The para to ortho conversion rate constant is predicted to be 1.2×105 s-1 torr-1.

UR - http://www.scopus.com/inward/record.url?scp=72949106440&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=72949106440&partnerID=8YFLogxK

U2 - 10.1063/1.3231491

DO - 10.1063/1.3231491

M3 - Article

C2 - 19778092

AN - SCOPUS:72949106440

SN - 0021-9606

VL - 131

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

IS - 11

M1 - 111101

ER -

Ortho-para mixing interaction in the vinyl radical detected by millimeter-wave spectroscopy

Abstract

All Science Journal Classification (ASJC) codes

Access to Document

Other files and links

Fingerprint

Cite this