Sarcosine and Betaine Crystals upon Cooling: Structural Motifs Unstable at High Pressure Become Stable at Low Temperatures | Sciact - CRIS-система Института катализа

Sarcosine and Betaine Crystals upon Cooling: Structural Motifs Unstable at High Pressure Become Stable at Low Temperatures Научная публикация

Журнал

PCCP: Physical Chemistry Chemical Physics
ISSN: 1463-9076 , E-ISSN: 1463-9084

Вых. Данные

Год: 2015, Том: 17, Номер: 5, Страницы: 3534-3543 Страниц : 10 DOI: 10.1039/c4cp05094k

Ключевые слова

ATOMIC DISPLACEMENT PARAMETERS; III AMMINE COMPLEXES; X-RAY-DIFFRACTION; HYDROGEN-BONDS; L-ALANINE; AMINO-ACIDS; DL-ALANINE; PHASE-TRANSITIONS; ALPHA-POLYMORPH; LATTICE STRAIN

Авторы

Kapustin E.A. ^1,2 , Minkov V.S. ^1,3 , Boldyreva E.V. ^1,3

Организации

1	Novosibirsk State University, Pirogov street, 2, Novosibirsk, Russian Federation
2	Department of Chemistry, University of California, Berkeley, CA, United States
3	Institute of Solid State Chemistry and Mechanochemistry SB RAS, Kutateladze street, 18, Novosibirsk, Russian Federation

Информация о финансировании (2)

1	Министерство образования и науки Российской Федерации	1828
2	Российский фонд фундаментальных исследований	12-03-31145 (01201272812)

The crystal structures of N-methyl derivatives of the simplest amino acid glycine, namely sarcosine (C3H7NO2) and betaine (C5H11NO2), were studied upon cooling by single-crystal X-ray diffraction and single-crystal polarized Raman spectroscopy. The effects of decreasing temperature and increasing hydrostatic pressure on the crystal structures were compared. In particular, we have studied the behavior upon cooling of those structural motifs in the crystals, which are involved in structural rearrangement during pressure-induced phase transitions. In contrast to their high sensitivity to hydrostatic compression, the crystals of both sarcosine and betaine are stable to cooling down to 5 K. Similarly to most α-amino acids, the crystal structures of the two compounds are most rigid upon cooling in the direction of the main structural motif, namely head-to-tail chains (linked via the strongest N-H⋯O hydrogen bonds and dipole-dipole interactions in the case of sarcosine, or exclusively by dipole-dipole interactions in the case of betaine). The anisotropy of linear strain in betaine does not differ much upon cooling and on hydrostatic compression, whereas this is not the case for sarcosine. Although the interactions between certain structural motifs in sarcosine and betaine weaken as a result of phase transitions induced by pressure, the same interactions strengthen when volume reduction results from cooling

Kapustin E.A. , Minkov V.S. , Boldyreva E.V.
Sarcosine and Betaine Crystals upon Cooling: Structural Motifs Unstable at High Pressure Become Stable at Low Temperatures
PCCP: Physical Chemistry Chemical Physics. 2015. V.17. N5. P.3534-3543. DOI: 10.1039/c4cp05094k WOS Scopus РИНЦ CAPlusCA OpenAlex

Поступила в редакцию:	4 нояб. 2014 г.
Принята к публикации:	16 дек. 2014 г.
Опубликована online:	16 дек. 2014 г.

Web of science:	WOS:000348203200065
Scopus:	2-s2.0-84921639305
РИНЦ:	23968831
Chemical Abstracts:	2014:2132916
Chemical Abstracts (print):	162:176355
OpenAlex:	W2000884878

БД	Цитирований
Web of science	12
Scopus	12
OpenAlex	12