Interaction of proline with Cu+ in the gas phase

Sophie Hoyau; Gilles Ohanessian

doi:10.1016/S1251-8069(99)80049-8

Interaction of proline with Cu⁺ in the gas phase

Sophie Hoyau
, Gilles Ohanessian

CNRS

Research output: Contribution to journal › Article › peer-review

Abstract

The interaction of proline with Cu⁺ has been investigated using ab initio quantum chemical methods. It is found that two structures are equivalent in stability: one involves metal chelation between the nitrogen and carbonyl oxygen of neutral proline, while in the other copper is bound to the carboxylate group of zwitterionic proline. The higher copper affinity of proline relative to glycine derives from the enhanced polarizability of proline and Lewis acid-base interaction between the metal and the secondary amine of proline.

Translated title of the contribution	Interaction de la proline avec Cu⁺ en phase gazeuse
Original language	English
Pages (from-to)	795-799
Number of pages	5
Journal	Comptes Rendus de l'Academie des Sciences - Series IIc: Chemistry
Volume	1
Issue number	12
DOIs	https://doi.org/10.1016/S1251-8069(99)80049-8
Publication status	Published - 1 Jan 1998
Externally published	Yes

Keywords

Ab initio calculations
Affinity
Copper
Gas phase
Proline

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10.1016/S1251-8069(99)80049-8

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abstract = "The interaction of proline with Cu+ has been investigated using ab initio quantum chemical methods. It is found that two structures are equivalent in stability: one involves metal chelation between the nitrogen and carbonyl oxygen of neutral proline, while in the other copper is bound to the carboxylate group of zwitterionic proline. The higher copper affinity of proline relative to glycine derives from the enhanced polarizability of proline and Lewis acid-base interaction between the metal and the secondary amine of proline.",

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author = "Sophie Hoyau and Gilles Ohanessian",

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AU - Hoyau, Sophie

AU - Ohanessian, Gilles

PY - 1998/1/1

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N2 - The interaction of proline with Cu+ has been investigated using ab initio quantum chemical methods. It is found that two structures are equivalent in stability: one involves metal chelation between the nitrogen and carbonyl oxygen of neutral proline, while in the other copper is bound to the carboxylate group of zwitterionic proline. The higher copper affinity of proline relative to glycine derives from the enhanced polarizability of proline and Lewis acid-base interaction between the metal and the secondary amine of proline.

AB - The interaction of proline with Cu+ has been investigated using ab initio quantum chemical methods. It is found that two structures are equivalent in stability: one involves metal chelation between the nitrogen and carbonyl oxygen of neutral proline, while in the other copper is bound to the carboxylate group of zwitterionic proline. The higher copper affinity of proline relative to glycine derives from the enhanced polarizability of proline and Lewis acid-base interaction between the metal and the secondary amine of proline.

KW - Ab initio calculations

KW - Affinity

KW - Copper

KW - Gas phase

KW - Proline

UR - https://www.scopus.com/pages/publications/0032325262

U2 - 10.1016/S1251-8069(99)80049-8

DO - 10.1016/S1251-8069(99)80049-8

M3 - Article

AN - SCOPUS:0032325262

SN - 1387-1609

VL - 1

SP - 795

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JO - Comptes Rendus de l'Academie des Sciences - Series IIc: Chemistry

JF - Comptes Rendus de l'Academie des Sciences - Series IIc: Chemistry

IS - 12

ER -

Interaction of proline with Cu⁺ in the gas phase

Abstract

Keywords

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