PMID- 18291713
OWN - NLM
STAT- MEDLINE
DCOM- 20090109
LR  - 20131121
IS  - 1386-1425 (Print)
IS  - 1386-1425 (Linking)
VI  - 71
IP  - 2
DP  - 2008 Nov 15
TI  - Factor group analysis and hyperpolarizability studies of nonlinear optical 
      L-asparaginium picrate (LASP) crystals.
PG  - 592-6
LID - 10.1016/j.saa.2007.12.044 [doi]
AB  - The factor group analysis and the hyperpolarizability study were carried out for 
      the L-asparaginium picrate (LASP) single crystals to explore the possible 
      vibrational modes and the microscopic nonlinearity by the density functional 
      triply parameter hybrid model DFT/B3LYP using GAUSSIAN 98W, respectively. The 
      HF/6-31G (d,p) basis set has been employed. The calculated first order 
      hyperpolarizability of LASP is 4.815 x 10(-29)esu. The Fourier transform infrared 
      (FTIR) spectroscopic studies were performed for identifying different functional 
      groups present in the compound.
FAU - Srinivasan, P
AU  - Srinivasan P
AD  - Department of Physics, Anna University, Chennai 600025, India.
FAU - Kanagasekaran, T
AU  - Kanagasekaran T
FAU - Gopalakrishnan, R
AU  - Gopalakrishnan R
LA  - eng
PT  - Journal Article
DEP - 20080117
PL  - England
TA  - Spectrochim Acta A Mol Biomol Spectrosc
JT  - Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
JID - 9602533
RN  - 0 (Picrates)
RN  - 7006-34-0 (Asparagine)
RN  - N762921K75 (Nitrogen)
SB  - IM
MH  - Asparagine/*chemistry
MH  - Crystallization
MH  - Models, Molecular
MH  - Nitrogen/chemistry
MH  - Nonlinear Dynamics
MH  - Picrates/*chemistry
MH  - Spectroscopy, Fourier Transform Infrared
MH  - Vibration
EDAT- 2008/02/23 09:00
MHDA- 2009/01/10 09:00
CRDT- 2008/02/23 09:00
PHST- 2007/07/09 00:00 [received]
PHST- 2007/12/07 00:00 [accepted]
PHST- 2008/02/23 09:00 [pubmed]
PHST- 2009/01/10 09:00 [medline]
PHST- 2008/02/23 09:00 [entrez]
AID - S1386-1425(08)00066-8 [pii]
AID - 10.1016/j.saa.2007.12.044 [doi]
PST - ppublish
SO  - Spectrochim Acta A Mol Biomol Spectrosc. 2008 Nov 15;71(2):592-6. doi: 
      10.1016/j.saa.2007.12.044. Epub 2008 Jan 17.