Effects of electronic structure on the hydration of PbNO3+ and SrNO3+ ion pairs

Literature Information

Publication Date 2015-05-27
DOI 10.1039/C5CP01859E
Impact Factor 3.676
Authors

Richard J. Cooper, Sven Heiles, Evan R. Williams


View Original

Abstract

Hydration of PbNO3+ and SrNO3+ with up to 30 water molecules was investigated with infrared photodissociation (IRPD) spectroscopy and with theory. These ions are the same size, yet the IRPD spectra of these ion pairs for n = 2–8 are significantly different. Bands in the bonded O–H region (∼3000–3550 cm−1) indicate that the onset of a second hydration shell begins at n = 5 for PbNO3+ and n = 6 for SrNO3+. Spectra for [PbNO3]+(H2O)2–5 and [SrNO3]+(H2O)3–6 indicate that the structures of clusters with Pb(II) are hemidirected with a void in the coordinate sphere. A natural bond orbital analysis of [PbNO3]+(H2O)5 indicates that the anisotropic solvation of the ion is due to a region of asymmetric electron density on Pb(II) that can be explained by charge transfer from the nitrate and water ligands into unoccupied p-orbitals on Pb(II). There are differences in the IRPD spectra of PbNO3+ and SrNO3+ with up to 25 water molecules attached. IR intensity in the bonded O–H region is blue-shifted by ∼50 cm−1 in nanodrops containing SrNO3+ compared to those containing PbNO3+, indicative of a greater perturbation of the water H-bond network by strontium. The free O–H stretches of surface water molecules in nanodrops containing 10, 15, 20, and 25 water molecules are red-shifted by ∼3–8 cm−1 for PbNO3+ compared to those for SrNO3+, consistent with more charge transfer between water molecules and Pb(II). These results demonstrate that the different electronic structure of these ions significantly influences how they are solvated.

Related Literature

Functional materials for aqueous redox flow batteries: merits and applications

Fulong Zhu, Wei Guo, Yongzhu Fu

2023-11-10 Review Article

DOI: 10.1039/D3CS00703K

High-entropy alloys in electrocatalysis: from fundamentals to applications

Jin-Tao Ren, Lei Chen, Hao-Yu Wang

2023-11-03 Review Article

DOI: 10.1039/D3CS00557G

Revolutionizing the structural design and determination of covalent–organic frameworks: principles, methods, and techniques

Yikuan Liu, Xiaona Liu, An Su, Chengtao Gong, Shenwei Chen, Liwei Xia, Chengwei Zhang, Xiaohuan Tao, Yue Li, Yonghe Li, Tulai Sun, Mengru Bu, Wei Shao, Jia Zhao, Xiaonian Li, Yongwu Peng, Yihan Zhu

2023-12-15 Review Article

DOI: 10.1039/D3CS00287J

Correction: Virus-mimicking nanosystems: from design to biomedical applications

Hao-Yang Liu, Xiao Li, Zhi-Gang Wang

2023-12-20 Correction

DOI: 10.1039/D3CS90101G

Photo- and electro-chemical strategies for the activations of strong chemical bonds

Xianhai Tian, Yuliang Liu, Shahboz Yakubov, Jonathan Schütte, Shunsuke Chiba, Joshua P. Barham

2023-12-07 Review Article

DOI: 10.1039/D2CS00581F

Contents list

2023-12-11 Front/Back Matter

DOI: 10.1039/D3CS90099A

A CuICoII cryptate for the visible light-driven reduction of CO2

Julia Jökel, Esma Birsen Boydas, Joël Wellauer, Oliver S. Wenger, Michael Römelt

2023-10-27 Edge Article

DOI: 10.1039/D3SC02679E

Correction: Fast and scalable solvent-free access to Lappert's heavier tetrylenes E{N(SiMe3)2}2 (E = Ge, Sn, Pb) and ECl{N(SiMe3)2} (E = Ge, Sn)

Javier A. Cabeza, Javier F. Reynes, Pablo García-Álvarez, Rubén García-Soriano

2023-11-03 Correction

DOI: 10.1039/D3SC90211K

You might also like

Compound Q&A

What are the main uses of (3alpha,5alpha)-3-Hydroxypregnane-11,20-dione (CAS: 23930-19-0)?

(3alpha,5alpha)-3-Hydroxypregnane-11,20-dione is primarily used in the pharmaceu...

23930-19-0(3alpha,5alpha)-3-Hy...
Compound Q&A

What is the market or research trend for 4-Amino-6-chloro-2-pyridinecarboxylic acid (CAS: 546141-56-4)?

The market for 4-Amino-6-chloro-2-pyridinecarboxylic acid (CAS: 546141-56-4) is ...

546141-56-44-Amino-6-chloro-2-p...
Compound Q&A

Are there alternatives to (2-Benzoylethyl)trimethylammonium chloride (CAS: 24472-88-6) in synthesis?

Alternatives to (2-Benzoylethyl)trimethylammonium chloride (CAS: 24472-88-6) in ...

24472-88-6(2-Benzoylethyl)trim...
Compound Q&A

Is N-[4-Nitro-3-(trifluoromethyl)phenyl]acetamide (CAS: 393-12-4) safe?

N-[4-Nitro-3-(trifluoromethyl)phenyl]acetamide (CAS: 393-12-4) is generally safe...

393-12-4N-[4-Nitro-3-(triflu...
Compound Q&A

Are there alternatives to N,N'-Bis(3-aminopropyl)-1,3-propanediamine (CAS: 4605-14-5) in synthesis?

There are alternatives to N,N'-Bis(3-aminopropyl)-1,3-propanediamine (CAS: 4605-...

4605-14-5N,N'-Bis(3-aminoprop...
Compound Q&A

What precautions should be taken when handling Aluminium trihexadecanoate (CAS: 555-35-1)?

When handling Aluminium trihexadecanoate, it is important to use appropriate per...

555-35-1Aluminium trihexadec...
Compound Q&A

What is (1,1-Dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)acetic acid (CAS: 52188-11-1)?

(1,1-Dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)acetic acid is a chemical compound ...

52188-11-1(1,1-Dioxido-3-oxo-1...
Compound Q&A

Are there alternatives to 5,5-dimethyloxolan-2-one (CAS: 3123-97-5) in synthesis?

Several alternatives to 5,5-dimethyloxolan-2-one (CAS: 3123-97-5) can be used in...

3123-97-55,5-dimethyloxolan-2...

Source Journal

Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
Articles per Year: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

Recommended Compounds

Recommended Suppliers

Disclaimer
This page provides academic journal information for reference and research purposes only. We are not affiliated with any journal publishers and do not handle publication submissions. For publication-related inquiries, please contact the respective journal publishers directly.
If you notice any inaccuracies in the information displayed, please contact us at support@chemtradehub.com. We will promptly review and address your concerns.