Conformational and structural stability of the single molecule and hydrogen bonded clusters of para aminobenzoic acid in the gas and solution phases-Reference-Cited by-同舟云学术

Conformational and structural stability of the single molecule and hydrogen bonded clusters of para aminobenzoic acid in the gas and solution phases

Published:2018 Issue:46 Volume:20 Page:7543-7555
ISSN:1466-8033
Container-title:CrystEngComm
language:en
Short-container-title:CrystEngComm

Author:

Rosbottom Ian¹²³⁴^ORCID,Toroz Dimitrios¹²³⁴⁵,Hammond Robert B.¹²³⁴,Roberts Kevin J.¹²³⁴

Affiliation:

1. Centre for Digital Drug Product Design

2. School of Chemical and Process Engineering

3. Leeds

4. UK

5. Department of Chemistry

Abstract

The structures of α- and β-para aminobenzoic acid are deconstructed into their hydrogen bonding molecular structural building blocks, where they are analysed usingab initioquantum mechanical calculations of their conformation and cluster stability in solution.

Funder

Engineering and Physical Sciences Research Council

Publisher

Royal Society of Chemistry (RSC)

Subject

Condensed Matter Physics,General Materials Science,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2018/CE/C8CE00908B

Reference78 articles.

1. The solid state, surface and morphological properties of p-aminobenzoic acid in terms of the strength and directionality of its intermolecular synthons

2. Towards an understanding of the nucleation of alpha-para amino benzoic acid from ethanolic solutions: a multi-scale approach

3. Simulation of Energetic Stability of Facetted l-Glutamic Acid Nanocrystalline Clusters in Relation to Their Polymorphic Phase Stability as a Function of Crystal Size

4. An examination of polymorphic stability and molecular conformational flexibility as a function of crystal size associated with the nucleation and growth of benzophenone

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