Journal Article

PUBDB-2023-00317

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Sniffing out camphor: the fine balance between hydrogen bonding and London dispersion in the chirality recognition with α-fenchol

Quesada Moreno, M. d. M. (Corresponding author)Extern*DESY* ; Fatima, M.CFEL*MPG*DESY* ; Medel, R. (Corresponding author) ; Pérez, C.Extern* ; Schnell, M. (Corresponding author)CFEL*DESY*

2022
RSC Publ. Cambridge

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Please use a persistent id in citations: doi:10.1039/D2CP00308B  doi:10.3204/PUBDB-2023-00317

Abstract: Binary complexes between the chiral monoterpenoids camphor and α-fenchol were explored with vibrational and rotational jet spectroscopy as well as density functional theory in order to explore how chirality can influence the binding preferences in gas-phase complexes. The global minimum structures of the two diastereomers were assigned. It is found that chirality recognition leads to different compromises in the fine balance between intermolecular interactions. While one isomer features a stronger hydrogen bond, the other one is more tightly arranged and stabilized by larger London dispersion interactions. These new spectroscopic results help understand the influence of chirality in molecular aggregation and unveil the kind of interactions involved between a chiral alcohol and a chiral ketone with large dispersion contributions.

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Contributing Institute(s):

1. Spectroscopy of molecular processes (FS-SMP)
2. MPSD (CFEL-SDCCM)

Research Program(s):

1. 631 - Matter – Dynamics, Mechanisms and Control (POF4-631) (POF4-631)

Experiment(s):

1. No specific instrument

Appears in the scientific report 2022

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Database coverage:
; ; ; Clarivate Analytics Master Journal List ; Current Contents - Physical, Chemical and Earth Sciences ; Essential Science Indicators ; IF < 5 ; JCR ; National-Konsortium ; SCOPUS ; Science Citation Index Expanded ; Web of Science Core Collection

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