Evidence map›Paper›PMID 27303817›Full record

ArticleChemistry (Weinheim an der Bergstrasse, Germany)2016

Rationalization of the Color Properties of Fluorescein in the Solid State: A Combined Computational and Experimental Study.

Mihails Arhangelskis, Mark D Eddleston, David G Reid, Graeme M Day, Dejan-Krešimir Bučar, Andrew J Morris, William Jones

Abstract read
In one paragraph

Article in Chemistry (Weinheim an der Bergstrasse, Germany), 2016. 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
–field-weighted citation impact
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

2 citing papers in PubMed.

  1. Fluorescent Metal-Organic Framework Nanoparticles for Explosive Detection.The journal of physical chemistry. C, Nanomaterials and interfaces · 2025
    Article
  2. Article
4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

7 authors.

Mihails ArhangelskisDepartment of Chemistry, University of Cambridge, Lensfield Road, Cambridge, CB2 1EW, UK.ORCID http://orcid.org/0000-0003-1150-3108
Mark D EddlestonDepartment of Chemistry, University of Cambridge, Lensfield Road, Cambridge, CB2 1EW, UK.
David G ReidDepartment of Chemistry, University of Cambridge, Lensfield Road, Cambridge, CB2 1EW, UK.
Graeme M DaySchool of Chemistry, University of Southampton, Highfield, Southampton, SO17 1BJ, UK.ORCID http://orcid.org/0000-0001-8396-2771
Dejan-Krešimir BučarDepartment of Chemistry, University College London, 20 Gordon Street, London, WC1H 0AJ, UK.ORCID http://orcid.org/0000-0001-6393-276X
Andrew J MorrisTheory of Condensed Matter Group, Cavendish Laboratory, University of Cambridge, J J Thomson Avenue, Cambridge, CB3 0HE, UK.ORCID http://orcid.org/0000-0001-7453-5698
William JonesDepartment of Chemistry, University of Cambridge, Lensfield Road, Cambridge, CB2 1EW, UK. wj10@cam.ac.uk.ORCID http://orcid.org/0000-0002-4690-4852

Funding

Medical Research Council MR/J007692/1
6 · The paper itself

Abstract

Fluorescein is known to exist in three tautomeric forms defined as quinoid, zwitterionic, and lactoid. In the solid state, the quinoid and zwitterionic forms give rise to red and yellow materials, respectively. The lactoid form has not been crystallized pure, although its cocrystal and solvate forms exhibit colors ranging from yellow to green. An explanation for the observed colors of the crystals is found using a combination of UV/Vis spectroscopy and plane-wave DFT calculations. The role of cocrystal coformers in modifying crystal color is also established. Several new crystal structures are determined using a combination of X-ray and electron diffraction, solid-state NMR spectroscopy, and crystal structure prediction (CSP). The protocol presented herein may be used to predict color properties of materials prior to their synthesis.

Indexed as

density functional calculationsfluoresceinoptical spectroscopysurface analysistautomerism

Identifiers

PMID27303817
PMCPMC4982065

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Registered trials

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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.