Elastic squared form factor and binding effect of carbon dioxide studied by the high resolution X-ray scattering

Huang, Xin-Chao; Xu, Long-Quan; Ni, Dongdong; Liu, Yawei; Peng, Yi-Geng; Yang, Kè; Hiraoka, Nozomu; Tsuei, Ku‐Ding; Zhu, Lin-Fan

doi:10.1016/j.elspec.2018.05.006

Cited by 2 publications

(2 citation statements)

References 44 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Although the majority of the coherent scattering predominates from the core electrons of the atoms, the larger proportion of valence electrons for first or second row elements can lead to a more significant impact on the shape of f ( Q ). These effects were detailed for instance in an early series of papers by Roy McWeeny, − and powerful methods for the analysis of electron charge-densities have since been developed. , The effects are most significant for molecules involving hydrogen, and the effects of IAM versus molecular form factors have been studied, for example, for water. ,, The deviation between IAM versus molecular form factors measured from the gas is relatively smaller for even second-row molecules , and the impact on the intermolecular correlations may be further reduced through orientational averaging . Thus, the IAM can still be suitable in cases where extreme accuracy in the intramolecular signal is not required, for instance in studying MRO structuring.…”

Section: Experimental Considerationsmentioning

confidence: 99%

“…649,650 The effects are most significant for molecules involving hydrogen, and the effects of IAM versus molecular form factors have been studied, for example, for water. 608,651,652 The deviation between IAM versus molecular form factors measured from the gas is relatively smaller for even second-row molecules 653,654 and the impact on the intermolecular correlations may be further reduced through orientational averaging. 651 Thus, the IAM can still be suitable in cases where extreme accuracy in the intramolecular signal is not required, for instance in studying MRO structuring.…”

Section: Experimental Considerations 71 Scattering Probesmentioning

confidence: 99%

See 1 more Smart Citation

Structural Analysis of Molecular Materials Using the Pair Distribution Function

2021

View full text Add to dashboard Cite

This is a review of atomic pair distribution function (PDF) analysis as applied to the study of molecular materials. The PDF method is a powerful approach to study short-and intermediate-range order in materials on the nanoscale. It may be obtained from total scattering measurements using X-rays, neutrons, or electrons, and it provides structural details when defects, disorder, or structural ambiguities obscure their elucidation directly in reciprocal space. While its uses in the study of inorganic crystals, glasses, and nanomaterials have been recently highlighted, significant progress has also been made in its application to molecular materials such as carbons, pharmaceuticals, polymers, liquids, coordination compounds, composites, and more. Here, an overview of applications toward a wide variety of molecular compounds (organic and inorganic) and systems with molecular components is presented. We then present pedagogical descriptions and tips for further implementation. Successful utilization of the method requires an interdisciplinary consolidation of material preparation, high quality scattering experimentation, data processing, model formulation, and attentive scrutiny of the results. It is hoped that this article will provide a useful reference to practitioners for PDF applications in a wide realm of molecular sciences, and help new practitioners to get started with this technique.

show abstract

Section: Experimental Considerationsmentioning

confidence: 99%

Section: Experimental Considerations 71 Scattering Probesmentioning

confidence: 99%

Structural Analysis of Molecular Materials Using the Pair Distribution Function

2021

View full text Add to dashboard Cite

show abstract

Non-resonant inelastic X-ray scattering spectroscopy: A momentum probe to detect the electronic structures of atoms and molecules

Wang

Zhu

2020

Matter and Radiation at Extremes

View full text Add to dashboard Cite

Non-resonant inelastic X-ray scattering (NRIXS) is a new technique for atomic and molecular physics that allows one to measure the electronic structures and dynamic parameters of the ground and excited states of atoms and molecules in momentum space. There is a clearly understood physical picture of NRIXS, which reveals its remarkable advantages of satisfying the first Born approximation and being able to excite dipole-forbidden transitions. Various physical properties of atoms and molecules, such as their elastic and inelastic squared form factors, optical oscillator strengths, and Compton profiles, can be explored using NRIXS under different experimental conditions. In this paper, we review newly developed experimental methods for NRIXS, together with its characteristics and various applications, with emphasis on the new insights into excitation mechanism and other new information revealed by this technique. The intrinsic connections and differences between NRIXS and fast electron impact spectroscopy are elucidated. Future applications of this method to atomic and molecular physics are also described.

show abstract

Elastic squared form factor and binding effect of carbon dioxide studied by the high resolution X-ray scattering

Cited by 2 publications

References 44 publications

Structural Analysis of Molecular Materials Using the Pair Distribution Function

Structural Analysis of Molecular Materials Using the Pair Distribution Function

Non-resonant inelastic X-ray scattering spectroscopy: A momentum probe to detect the electronic structures of atoms and molecules

Contact Info

Product

Resources

About