Enhanced vibrational solvatochromism and spectral diffusion by electron rich substituents on small molecule silanes.

Courtney M Olson, Adam Grofe, Christopher J Huber, Ivan C Spector, Jiali Gao, Aaron M Massari

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Article in The Journal of chemical physics, 2017. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 2 papers.

0numbers the graph read from it

0cells of the map it votes in

2citing papers in PubMed

0.7field-weighted citation impact, top 27% of its field

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3 · Its place in the literature

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2 citing papers in PubMed, 11 citations in OpenAlex.

Unpolarized laser method for infrared spectrum calculation of amide I CO bonds in proteins using molecular dynamics simulation.Computers in biology and medicine · 2023
Article
Origin of thiocyanate spectral shifts in water and organic solvents.The Journal of chemical physics · 2022
Article

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5 · Who and what money

Authors and funding

6 authors at 2 institutions in 2 countries.

Courtney M OlsonDepartment of Chemistry, University of Minnesota-Twin Cities, Minneapolis, Minnesota 55455, USA.

Adam GrofeDepartment of Chemistry, University of Minnesota-Twin Cities, Minneapolis, Minnesota 55455, USA.

Christopher J HuberDoane University, 1014 Boswell Avenue, Crete, Nebraska 68333, USA.

Ivan C SpectorDepartment of Chemistry, University of Minnesota-Twin Cities, Minneapolis, Minnesota 55455, USA.

Jiali GaoDepartment of Chemistry, University of Minnesota-Twin Cities, Minneapolis, Minnesota 55455, USA.ORCID 0000000301067154

Aaron M MassariDepartment of Chemistry, University of Minnesota-Twin Cities, Minneapolis, Minnesota 55455, USA.

University of Minnesota · USDoane University · US

Funding

BIOMOLECULAR INTERACTIONS AND ENZYMATIC PROCESSESR01GM046736 · NIGMS · UNIVERSITY OF MINNESOTA TWIN CITIES · PI JIALI GAO · 1993 to 2026

$6.5M

NIGMS NIH HHS R01 GM046736

6 · The paper itself

Abstract

Fourier transform infrared and two-dimensional IR (2D-IR) spectroscopies were applied to two different silanes in three different solvents. The selected solutes exhibit different degrees of vibrational solvatochromism for the Si-H vibration. Density functional theory calculations confirm that this difference in sensitivity is the result of higher mode polarization with more electron withdrawing ligands. This mode sensitivity also affects the extent of spectral diffusion experienced by the silane vibration, offering a potential route to simultaneously optimize the sensitivity of vibrational probes in both steady-state and time-resolved measurements. Frequency-frequency correlation functions obtained by 2D-IR show that both solutes experience dynamics on similar time scales and are consistent with a picture in which weakly interacting solvents produce faster, more homogeneous fluctuations. Molecular dynamics simulations confirm that the frequency-frequency correlation function obtained by 2D-IR is sensitive to the presence of hydrogen bonding dynamics in the surrounding solvation shell.

Identifiers

PMID28964044

DOI10.1063/1.5003908

PMCPMC5848733

OpenAlexW2758011936

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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.