Published September 18, 2019 | Version v1
Miscellaneous Metadata-only

Compounds of 1H-pyrazole-1-carboxamidine - crystal structure; nonlinear optical properties and interpretation of vibrational spectra using quantum-chemical calculations

Creators

  • 1. Charles University, Faculty of Science, Department of Inorganic Chemistry, 12840 Praha (Czech Republic)

Description

In this poster selected crystalline compounds of 1H-pyrazole-1-carboxamidine (pcam) will be described. Prepared materials were characterised mainly by the means of vibrational spectroscopy and X-ray diffraction analysis. Quantum-chemical calculations were used for a prediction of NLO potential as well as for interpretation of recorded vibrational spectra. Lastly, measurements of SHG efficiency of powder samples with non-centrosymmetric crystal structures were performed. (authors)

Additional details

Identifiers

URL
http://71zjazd.schems.sk/Zbornik_Abstraktov.pdf;

Publishing Information

Publisher
Slovak Chemical Society
Imprint Place
Bratislava (Slovakia)
Imprint Title
71. Congress of Chemists. Proceeding of Abstracts
Imprint Pagination
[197 p.]
Journal Volume
15
Journal Issue
1
Journal Series
ChemZi. Slovensky casopis o chemii pre chemicke vzdelavanie, vyskum a priemysel
Journal Page Range
p. 169
ISSN
1336-7242
Report number
INIS-SK--2020-001

Conference

Title
71. Congress of Chemists
Original Conference Title
71. Zjazd chemikov. Zbornik abstraktov
Dates
9-13 Sep 2019
Place
Vysoke Tatry, Horny Smokovec (Slovakia)

INIS

Country of Publication
Slovakia
Country of Input or Organization
Slovakia
INIS RN
51090047
Subject category
S37: INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; S71: CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS;
Resource subtype / Literary indicator
Conference
Quality check status
Yes
Descriptors DEI
CHEMICAL BONDS; HYDROGEN; INFRARED SPECTRA; MOLECULAR ORBITAL METHOD; MOLECULAR STRUCTURE; PYRAZOLES; QUANTUM MECHANICS; X-RAY DIFFRACTION;
Descriptors DEC
AZOLES; CALCULATION METHODS; COHERENT SCATTERING; DIFFRACTION; ELEMENTS; HETEROCYCLIC COMPOUNDS; MECHANICS; NONMETALS; ORGANIC COMPOUNDS; ORGANIC NITROGEN COMPOUNDS; SCATTERING; SPECTRA;

Optional Information

Contract/Grant/Project number
Project CUCAM Centre of Excellence CZ.02.1.01/0.0/0.0/15-003/0000417; CURP- UNCE/SCI/014
Lead record
kcmsx-vbn33
Notes
2 refs.