J Phys Chem B. 2018 Apr 12;122(14):4035-4044. doi: 10.1021/acs.jpcb.8b00887. Epub 2018 Mar 22.

Cyanamide as an Infrared Reporter: Comparison of Vibrational Properties between Nitriles Bonded to N and C Atoms.

The journal of physical chemistry. B

Giseong Lee, Dorota Kossowska, Joonhyung Lim, Soobin Kim, Hogyu Han, Kyungwon Kwak, Minhaeng Cho

PMID: 29518330 DOI: 10.1021/acs.jpcb.8b00887

Abstract

Infrared (IR) probes based on terminally blocked β-cyanamidoalanine (AlaNHCN) 1 and p-cyanamidophenylalanine (PheNHCN) 2 were synthesized, and the vibrational properties of their CN stretch modes were studied using Fourier transform infrared (FTIR) and femtosecond IR pump-probe spectroscopies in combination with quantum chemical calculations. From FTIR studies, it is found that the transition dipole strengths of the cyanamide (NHCN) group in 1 and 2 are much larger than those of the nitrile (CN) group but comparable to those of the isonitrile (NC) and azido (N

Publication Types

• Journal Article
• Research Support, Non-U.S. Gov't