Issue 3, 2020

Photoelectron spectroscopy of boron-containing reactive intermediates using synchrotron radiation: BH2, BH, and BF

Abstract

Mass selected slow photoelectron spectra (SPES) of three boron-containing reactive species, BH2, BH, and BF were recorded by double imaging photoion–photoelectron coincidence spectroscopy (i2PEPICO) using synchrotron radiation. All species were generated in a flow reactor from the H-abstraction of B2H6 by F atoms created in a F2 microwave discharge. The spectrum of BH2+ exhibits a long bending mode progression with a 970 cm−1 spacing due to the large geometry change from bent to linear upon ionization. Its ionization energy was determined as 8.12 ± 0.02 eV. For BH, photoionisation from both X1Σ+ singlet and a3Π triplet state was observed, permitting the experimental determination of the singlet/triplet gap (ΔEST) from the observed IE's of 9.82 eV and 8.48 eV. In addition, a threshold photoelectron spectrum of BF was recorded, which leads to an IE of 11.11 eV and an improved value for νBF+ of 1690 cm−1. All spectra were simulated by calculating Franck–Condon factors from optimised structures based on quantum chemical calculations.

Graphical abstract: Photoelectron spectroscopy of boron-containing reactive intermediates using synchrotron radiation: BH2, BH, and BF

Supplementary files

Article information

Article type
Paper
Submitted
05 נוב 2019
Accepted
11 דצמ 2019
First published
12 דצמ 2019

Phys. Chem. Chem. Phys., 2020,22, 1027-1034

Photoelectron spectroscopy of boron-containing reactive intermediates using synchrotron radiation: BH2, BH, and BF

D. P. Mukhopadhyay, D. Schleier, I. Fischer, J.-C. Loison, C. Alcaraz and G. A. Garcia, Phys. Chem. Chem. Phys., 2020, 22, 1027 DOI: 10.1039/C9CP06010C

To request permission to reproduce material from this article, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.

Social activity

Spotlight

Advertisements