The infrared multiphoton dissociation (IRMPD) spectrum of the protonated heterodimer of ProPheH+, in the range of 2700-3700 cm−1, has been obtained with a Fourier-transform ion cyclotron mass spectrometer combined with an IR OPO laser. The experimental spectrum shows one peak at 3565 cm−1 corresponding to the free carboxyl O-H stretching vibration, and two broad peaks centered at 2935 and 3195 cm−1. Theoretical calculations were performed on the level of M062X/6-311++G(d,p). Results show that the most stable isomer is characterized by a charge-solvated structure in which the proton is bound to the unit of proline. Its predicted spectrum is in good agreement with the experimental one, although the coexistence of salt-bridged structures cannot be entirely excluded.
Skip Nav Destination
Article navigation
October 2020
Research Article|
October 01 2020
Structure of protonated heterodimer of proline and phenylalanine: Revealed by infrared multiphoton dissociation spectroscopy and theoretical calculations†
Juan Ren;
Juan Ren
a
State Key Laboratory of Elemento-organic Chemistry, College of Chemistry, Nankai University
, Tianjin 300071, China
Search for other works by this author on:
Xian-yi Zhang;
Xian-yi Zhang
b
School of Physics and Electronic Information, Anhui Normal University, Anhui Normal University
, Wuhu 241000, China
Search for other works by this author on:
Xiang-lei Kong
Xiang-lei Kong
*
a
State Key Laboratory of Elemento-organic Chemistry, College of Chemistry, Nankai University
, Tianjin 300071, China
c
Collaborative Innovation Center of Chemical Science and Engineering, Nankai University
, Tianjin 300071, China
*Author to whom correspondence should be addressed. E-mail: kongxianglei@nankai.edu.cn
Search for other works by this author on:
*Author to whom correspondence should be addressed. E-mail: kongxianglei@nankai.edu.cn
†
Part of the special issue on “the Chinese Chemical Society’s 16th National Chemical Dynamics Symposium”.
Chin. J. Chem. Phys. 33, 590–594 (2020)
Article history
Received:
June 10 2020
Accepted:
July 03 2020
Citation
Juan Ren, Xian-yi Zhang, Xiang-lei Kong; Structure of protonated heterodimer of proline and phenylalanine: Revealed by infrared multiphoton dissociation spectroscopy and theoretical calculations. Chin. J. Chem. Phys. 1 October 2020; 33 (5): 590–594. https://doi.org/10.1063/1674-0068/cjcp2006089
Download citation file:
Sign in
Don't already have an account? Register
Sign In
You could not be signed in. Please check your credentials and make sure you have an active account and try again.
Pay-Per-View Access
$40.00
24
Views
Citing articles via
Ultrafast intrinsic excited state localization m 2D layered As2S3 by interlayer bond formation
Xufeng Li, Li Yao, et al.
Crystallographic groups prediction from chemical composition via deep learning
Da-yong Wang, Hai-feng Lv, et al.
Quantum dynamics calculations on isotope effects of hydrogen transfer isomerization in formic acid dimer
Fengyi Li, Xiaoxi Liu, et al.
Related Content
Nonenzymatic post-translational modifications in peptides by cold plasma-derived reactive oxygen and nitrogen species
Biointerphases (November 2020)
Total dissociative electron attachment cross sections of selected amino acids
J. Chem. Phys. (May 2007)
Optical analysis of cortical bone tissue in modelling bone resorption in microgravity environment
AIP Conference Proceedings (February 2021)
Bifunctional organic molecules as an effective stabilizer for selenium nanoparticles
AIP Conf. Proc. (December 2023)
Drought resistance mechanisms and methods of analysis of resistance by trait
AIP Conference Proceedings (November 2021)