Data for: The inner-shell ionization and fragmentation of selenophene at 120 eV

Abstract

The file in this repository (aq386.h5) is the data presented in the paper titled above. This study used time-of-flight velocity map ion imaging to measure the three-dimensional momentum distributions of ions produced following site-selective ionization of selenophene at the Se 3d orbitals. Covariance analysis was used to extract the relative abundances and recoil dynamics of over 50 fragmentation pathways, including two-body and many-body (3+) fragmentation channels of molecular polycations. The experimental conditions used in this study are the same as those described in the following published articles [https://iopscience.iop.org/article/10.1088/1361-6455/ad8799, https://doi.org/10.1039/D2CP03029B]. The data was recorded at the soft X-ray beamline (BL1) of the Spring-8 Compact Angstrom free electron Laser (SACLA) in Japan in December 2022 during the beamtime for proposal number 2022B8048. The data uploaded are constructed from the three delay-line layers of the RoentDek hexanode delay line detector used in the experiment. The data includes the following information (which can be viewed using a hdf5 viewer such as the online https://myhdf5.hdfgroup.org/): ‘delay_calibrated’, ‘delay_jitter’, ‘delay_motor’, ‘delay_offset’ – these parameters are for time-resolved pump probe measurements. However, this dataset is not time-resolved and so these values can be disregarded; ‘fel_intensity’, ‘fel_shutter’, fel_status’ – parameters defining the operation status of the free electron laser; ‘laser shutter’ – optical lasers were not used in this measurement and so this value can be disregarded; ‘nions’, ‘nlistpos’, ‘tagevent’, ‘tma_flag’ – parameters defining the count rate conditions of the experiment. ‘tagevent’ is the laser shot identifying number given to groups of ions produced within the same laser shot; ‘tof’, ‘xpos’, ‘ypos’ – the time-of-flight, x-position, and y-position of ions hitting the position-sensitive detector. These values are used to calculate the three-dimensional momentum information for each ion hitting the detector per laser shot.